Benzoic acid, dimethyl-, methyl ester


Chemical Name: Benzoic acid, dimethyl-, methyl ester
CAS Number: 15012-36-9
Product Number: AG001MCX(AGN-PC-0JKJ5T)
Synonyms:
MDL No: MFCD06203773
Molecular Formula: C10H12O2
Molecular Weight: 164.2011

Identification/Properties


Computed Properties
Molecular Weight:
164.204g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
164.084g/mol
Monoisotopic Mass:
164.084g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
165
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

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NMR Spectrum


Other Analytical Data


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