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155915-30-3 | 1,2-Cyclohexanedicarboxylic acid, 1-hydroxy-
CAS No: 155915-30-3 Catalog No: AG001OC4 MDL No:
Product Description
Catalog Number:
AG001OC4
Chemical Name:
1,2-Cyclohexanedicarboxylic acid, 1-hydroxy-
CAS Number:
155915-30-3
Molecular Formula:
C8H12O5
Molecular Weight:
188.1779
IUPAC Name:
1-hydroxycyclohexane-1,2-dicarboxylic acid
InChI:
InChI=1S/C8H12O5/c9-6(10)5-3-1-2-4-8(5,13)7(11)12/h5,13H,1-4H2,(H,9,10)(H,11,12)
InChI Key:
SSBQOSIEGFXXEQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCCC1(O)C(=O)O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
188.179g/mol
Monoisotopic Mass:
188.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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