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23287-26-5 | Benzoic acid, 2-hydroxy-3-methyl-, methyl ester
CAS No: 23287-26-5 Catalog No: AG002MRD MDL No:MFCD00020051
Product Description
Catalog Number:
AG002MRD
Chemical Name:
Benzoic acid, 2-hydroxy-3-methyl-, methyl ester
CAS Number:
23287-26-5
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD00020051
IUPAC Name:
methyl 2-hydroxy-3-methylbenzoate
InChI:
InChI=1S/C9H10O3/c1-6-4-3-5-7(8(6)10)9(11)12-2/h3-5,10H,1-2H3
InChI Key:
SUHLUMKZPUMAFP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1O)C
EC Number:
245-557-2
UNII:
6N2H1LOP9K
NSC Number:
165638
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:
3.2
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