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88755-16-2 | Benzeneacetic acid,3,4,5-trimethoxy-a-oxo-
CAS No: 88755-16-2 Catalog No: AG004CNZ MDL No:MFCD03844682
Product Description
Catalog Number:
AG004CNZ
Chemical Name:
Benzeneacetic acid,3,4,5-trimethoxy-a-oxo-
CAS Number:
88755-16-2
Molecular Formula:
C11H12O6
Molecular Weight:
240.2094
MDL Number:
MFCD03844682
IUPAC Name:
2-oxo-2-(3,4,5-trimethoxyphenyl)acetic acid
InChI:
InChI=1S/C11H12O6/c1-15-7-4-6(9(12)11(13)14)5-8(16-2)10(7)17-3/h4-5H,1-3H3,(H,13,14)
InChI Key:
LADJHQSUVNTXES-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)C(=O)O
UNII:
THGZLD5D16
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.211g/mol
Monoisotopic Mass:
240.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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