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1809337-22-1 | Benzoic acid, 3,4-dihydroxy-2,5-dimethyl-, methyl ester
CAS No: 1809337-22-1 Catalog No: AG0022H6 MDL No:MFCD29918461
Product Description
Catalog Number:
AG0022H6
Chemical Name:
Benzoic acid, 3,4-dihydroxy-2,5-dimethyl-, methyl ester
CAS Number:
1809337-22-1
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD29918461
IUPAC Name:
methyl 3,4-dihydroxy-2,5-dimethylbenzoate
InChI:
InChI=1S/C10H12O4/c1-5-4-7(10(13)14-3)6(2)9(12)8(5)11/h4,11-12H,1-3H3
InChI Key:
QAKMMJACUDPNME-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)c(c(c1C)O)O
Properties
Complexity:
216
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:
2
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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