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233271-89-1 | 3-Cyclohexene-1-carboxylic acid, 1-hydroxy-5-oxo-, (1R)-
CAS No: 233271-89-1 Catalog No: AG002MVK MDL No:
Product Description
Catalog Number:
AG002MVK
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 1-hydroxy-5-oxo-, (1R)-
CAS Number:
233271-89-1
Molecular Formula:
C7H8O4
Molecular Weight:
156.1360
IUPAC Name:
(1R)-1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C7H8O4/c8-5-2-1-3-7(11,4-5)6(9)10/h1-2,11H,3-4H2,(H,9,10)/t7-/m1/s1
InChI Key:
PZLPBXHBCCBRGN-SSDOTTSWSA-N
SMILES:
O=C1C=CC[C@](C1)(O)C(=O)O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
156.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.137g/mol
Monoisotopic Mass:
156.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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