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15964-80-4 | Benzeneacetic acid, 4-hydroxy-3-methoxy-, methyl ester
CAS No: 15964-80-4 Catalog No: AG001R9L MDL No:MFCD00127727
Product Description
Catalog Number:
AG001R9L
Chemical Name:
Benzeneacetic acid, 4-hydroxy-3-methoxy-, methyl ester
CAS Number:
15964-80-4
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD00127727
IUPAC Name:
methyl 2-(4-hydroxy-3-methoxyphenyl)acetate
InChI:
InChI=1S/C10H12O4/c1-13-9-5-7(3-4-8(9)11)6-10(12)14-2/h3-5,11H,6H2,1-2H3
InChI Key:
JJJSFAGPWHEUBT-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(c(c1)OC)O
EC Number:
240-101-9
Properties
Complexity:
193
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:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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