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116386-94-8 | Benzoic acid, 2-hydroxy-4-methoxy-3-methyl-, methyl ester
CAS No: 116386-94-8 Catalog No: AG000CCU MDL No:
Product Description
Catalog Number:
AG000CCU
Chemical Name:
Benzoic acid, 2-hydroxy-4-methoxy-3-methyl-, methyl ester
CAS Number:
116386-94-8
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
IUPAC Name:
methyl 2-hydroxy-4-methoxy-3-methylbenzoate
InChI:
InChI=1S/C10H12O4/c1-6-8(13-2)5-4-7(9(6)11)10(12)14-3/h4-5,11H,1-3H3
InChI Key:
NZJNXYZWTJEZCB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1O)C)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:
2.3
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