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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)-

Butanenitrile, 3-oxo-

CC(=O)CC#N Request for Quotation
Chemical Name: Butanenitrile, 3-oxo-
CAS Number: 2469-99-0
Product Number: AG002P28(AGN-PC-0JLPGB)
Synonyms:
MDL No:
Molecular Formula: C4H5NO
Molecular Weight: 83.0886

Identification/Properties

Properties
BP:
92-94℃/10mm
Storage:
Inert atmosphere;-10 ℃;
Form:
Liquid
Refractive Index:
1.4285
Computed Properties
Molecular Weight:
83.09g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
83.037g/mol
Monoisotopic Mass:
83.037g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
97.4
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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:
Danger
UN#:
3276
Hazard Statements:
H301-H310-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P310-P302+P350-P305+P351+P338-P310
Class:
6.1
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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