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19829-72-2 | 1,4-Benzenedicarboxylic acid, 2,3-dihydroxy-
CAS No: 19829-72-2 Catalog No: AG002BF0 MDL No:MFCD02181105
Product Description
Catalog Number:
AG002BF0
Chemical Name:
1,4-Benzenedicarboxylic acid, 2,3-dihydroxy-
CAS Number:
19829-72-2
Molecular Formula:
C8H6O6
Molecular Weight:
198.1296
MDL Number:
MFCD02181105
IUPAC Name:
2,3-dihydroxyterephthalic acid
InChI:
InChI=1S/C8H6O6/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)
InChI Key:
OHLSHRJUBRUKAN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1O)O)C(=O)O
EC Number:
243-354-3
NSC Number:
38869
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.016g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
198.13g/mol
Monoisotopic Mass:
198.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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