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116324-66-4 | Benzoic acid, 3,6-dimethoxy-2-methyl-
CAS No: 116324-66-4 Catalog No: AG000C7L MDL No:MFCD01194282
Product Description
Catalog Number:
AG000C7L
Chemical Name:
Benzoic acid, 3,6-dimethoxy-2-methyl-
CAS Number:
116324-66-4
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD01194282
IUPAC Name:
3,6-dimethoxy-2-methylbenzoic acid
InChI:
InChI=1S/C10H12O4/c1-6-7(13-2)4-5-8(14-3)9(6)10(11)12/h4-5H,1-3H3,(H,11,12)
InChI Key:
LKDLTVNSBUNBAP-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1C)C(=O)O)OC
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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