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7151-68-0 | 3-Methoxy-4-methylbenzoic acid
CAS No: 7151-68-0 Catalog No: AG0035UA MDL No:MFCD00002566
Product Description
Catalog Number:
AG0035UA
Chemical Name:
3-Methoxy-4-methylbenzoic acid
CAS Number:
7151-68-0
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD00002566
IUPAC Name:
3-methoxy-4-methylbenzoic acid
InChI:
InChI=1S/C9H10O3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3,(H,10,11)
InChI Key:
CEAVPXDEPGAVDA-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C)C(=O)O
EC Number:
230-486-1
NSC Number:
70224
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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