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232952-09-9 | 1-Cyclohexene-1-carboxylic acid, 3,5-dihydroxy-, (3S,5R)-
CAS No: 232952-09-9 Catalog No: AG002MSP MDL No:
Product Description
Catalog Number:
AG002MSP
Chemical Name:
1-Cyclohexene-1-carboxylic acid, 3,5-dihydroxy-, (3S,5R)-
CAS Number:
232952-09-9
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
IUPAC Name:
(3S,5R)-3,5-dihydroxycyclohexene-1-carboxylic acid
InChI:
InChI=1S/C7H10O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1,5-6,8-9H,2-3H2,(H,10,11)/t5-,6-/m1/s1
InChI Key:
VOPWVSIKLIVPKB-PHDIDXHHSA-N
SMILES:
O[C@H]1C[C@H](O)C=C(C1)C(=O)O
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
158.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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