Benzoic acid, 3-hydroxy-5-methoxy-, methyl ester


Chemical Name: Benzoic acid, 3-hydroxy-5-methoxy-, methyl ester
CAS Number: 19520-74-2
Product Number: AG00AO85(AGN-PC-00OFNE)
Synonyms:
MDL No:
Molecular Formula: C9H10O4
Molecular Weight: 182.1733

Identification/Properties


Computed Properties
Molecular Weight:
182.175g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
182.058g/mol
Monoisotopic Mass:
182.058g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
181
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


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