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21553-46-8 | 3,5-Dimethyl-4-Methoxybenzoic Acid
CAS No: 21553-46-8 Catalog No: AG003IOM MDL No:MFCD00020309
Product Description
Catalog Number:
AG003IOM
Chemical Name:
3,5-Dimethyl-4-Methoxybenzoic Acid
CAS Number:
21553-46-8
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00020309
IUPAC Name:
4-methoxy-3,5-dimethylbenzoic acid
InChI:
InChI=1S/C10H12O3/c1-6-4-8(10(11)12)5-7(2)9(6)13-3/h4-5H,1-3H3,(H,11,12)
InChI Key:
WXVQURJGDUNJCS-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1C)C(=O)O
EC Number:
244-441-9
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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