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6880-04-2 | 4-Methoxy-3-methylbenzoic acid
CAS No: 6880-04-2 Catalog No: AG003LMQ MDL No:MFCD00270114
Product Description
Catalog Number:
AG003LMQ
Chemical Name:
4-Methoxy-3-methylbenzoic acid
CAS Number:
6880-04-2
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD00270114
IUPAC Name:
4-methoxy-3-methylbenzoic acid
InChI:
InChI=1S/C9H10O3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5H,1-2H3,(H,10,11)
InChI Key:
DNMUMZLKDOZMEY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C)C(=O)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:
2.3
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