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25045-36-7 | Benzoic acid, 2-methoxy-5-methyl-
CAS No: 25045-36-7 Catalog No: AG002Q98 MDL No:MFCD00045849
Product Description
Catalog Number:
AG002Q98
Chemical Name:
Benzoic acid, 2-methoxy-5-methyl-
CAS Number:
25045-36-7
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD00045849
IUPAC Name:
2-methoxy-5-methylbenzoic acid
InChI:
InChI=1S/C9H10O3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key:
QEFQGRZFYWPDSU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)O)C
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:
2.6
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