Benzoic acid, 3-(hydroxymethyl)-5-methoxy-, methyl ester


Chemical Name: Benzoic acid, 3-(hydroxymethyl)-5-methoxy-, methyl ester
CAS Number: 367519-84-4
Product Number: AG00CLXA(AGN-PC-00PCVD)
Synonyms:
MDL No: MFCD11044548
Molecular Formula: C10H12O4
Molecular Weight: 196.1999

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
196.202g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
196.074g/mol
Monoisotopic Mass:
196.074g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
193
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:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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