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19829-74-4 | 1,3-Benzenedicarboxylic acid, 4,6-dihydroxy-
CAS No: 19829-74-4 Catalog No: AG002BEZ MDL No:MFCD08693472
Product Description
Catalog Number:
AG002BEZ
Chemical Name:
1,3-Benzenedicarboxylic acid, 4,6-dihydroxy-
CAS Number:
19829-74-4
Molecular Formula:
C8H6O6
Molecular Weight:
198.1296
MDL Number:
MFCD08693472
IUPAC Name:
4,6-dihydroxybenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H6O6/c9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/h1-2,9-10H,(H,11,12)(H,13,14)
InChI Key:
MZGVIIXFGJCRDR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C(=O)O)c(cc1O)O
Properties
Complexity:
226
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:
1.4
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