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205587-32-2 | 1,3-Cyclohexadiene-1-carboxylic acid, 3,4-dichloro-5,6-dihydroxy-, (5R,6R)-
CAS No: 205587-32-2 Catalog No: AG002A8J MDL No:MFCD00142966
Product Description
Catalog Number:
AG002A8J
Chemical Name:
1,3-Cyclohexadiene-1-carboxylic acid, 3,4-dichloro-5,6-dihydroxy-, (5R,6R)-
CAS Number:
205587-32-2
Molecular Formula:
C7H6Cl2O4
Molecular Weight:
225.0261
MDL Number:
MFCD00142966
IUPAC Name:
(5R,6R)-3,4-dichloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
InChI:
InChI=1S/C7H6Cl2O4/c8-3-1-2(7(12)13)5(10)6(11)4(3)9/h1,5-6,10-11H,(H,12,13)/t5-,6+/m1/s1
InChI Key:
VCMXBESUKVYUFQ-RITPCOANSA-N
SMILES:
OC(=O)C1=CC(=C([C@@H]([C@@H]1O)O)Cl)Cl
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
223.964g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
225.021g/mol
Monoisotopic Mass:
223.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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