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2615-71-6 | Benzoic acid, 3-hydroxy-5-methyl-, methyl ester
CAS No: 2615-71-6 Catalog No: AG002RV8 MDL No:MFCD11007825
Product Description
Catalog Number:
AG002RV8
Chemical Name:
Benzoic acid, 3-hydroxy-5-methyl-, methyl ester
CAS Number:
2615-71-6
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD11007825
IUPAC Name:
methyl 3-hydroxy-5-methylbenzoate
InChI:
InChI=1S/C9H10O3/c1-6-3-7(9(11)12-2)5-8(10)4-6/h3-5,10H,1-2H3
InChI Key:
PBUWDSBWYMQASI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)cc(c1)O
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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