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138771-51-4 | Butanedioic acid, 2-(2,3-dihydroxyphenyl)-
CAS No: 138771-51-4 Catalog No: AG0019IS MDL No:
Product Description
Catalog Number:
AG0019IS
Chemical Name:
Butanedioic acid, 2-(2,3-dihydroxyphenyl)-
CAS Number:
138771-51-4
Molecular Formula:
C10H10O6
Molecular Weight:
226.1828
IUPAC Name:
2-(2,3-dihydroxyphenyl)butanedioic acid
InChI:
InChI=1S/C10H10O6/c11-7-3-1-2-5(9(7)14)6(10(15)16)4-8(12)13/h1-3,6,11,14H,4H2,(H,12,13)(H,15,16)
InChI Key:
LRISEDXDFOSTNX-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1cccc(c1O)O)C(=O)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
226.184g/mol
Monoisotopic Mass:
226.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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