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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

(5S)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid

CC1CCc2c(C1)c(no2)C(=O)O Request for Quotation
Chemical Name: (5S)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
CAS Number: 832737-91-4
Product Number: AG00IDAE(AGN-PC-0K0GXI)
Synonyms:
MDL No:
Molecular Formula: C9H11NO3
Molecular Weight: 181.1885

Identification/Properties

Computed Properties
Molecular Weight:
181.191g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
181.074g/mol
Monoisotopic Mass:
181.074g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
219
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H312-H332
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


5-Methyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxylic acid, commonly known as $name$, is a versatile compound widely utilized in chemical synthesis. With its unique molecular structure, $name$ serves as a valuable building block in the creation of various organic molecules. In particular, it is often employed as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and materials. Its presence in the chemical synthesis process helps in the formation of complex structures and facilitates the production of specialized compounds with specific properties. Moreover, the incorporation of $name$ in the synthesis pathway can enhance the efficiency and yield of the desired end products. This compound plays a crucial role in modern organic chemistry by enabling the development of novel substances and advancing research in various scientific fields.