Benzeneacetic acid, 4-hydroxy-3-methyl-, methyl ester


Chemical Name: Benzeneacetic acid, 4-hydroxy-3-methyl-, methyl ester
CAS Number: 64360-47-0
Product Number: AG003RKW(AGN-PC-0NIP0O)
Synonyms:
MDL No:
Molecular Formula: C10H12O3
Molecular Weight: 180.2005

Identification/Properties


Properties
BP:
285.9°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
180.203g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
180.079g/mol
Monoisotopic Mass:
180.079g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
179
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


NMR Spectrum


Other Analytical Data


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