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183134-62-5 | Cyclohexanecarboxylicacid, 1-hydroxy-3-oxo-, (R)- (9CI)
CAS No: 183134-62-5 Catalog No: AG0024EQ MDL No:
Product Description
Catalog Number:
AG0024EQ
Chemical Name:
Cyclohexanecarboxylicacid, 1-hydroxy-3-oxo-, (R)- (9CI)
CAS Number:
183134-62-5
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
IUPAC Name:
(1R)-1-hydroxy-3-oxocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C7H10O4/c8-5-2-1-3-7(11,4-5)6(9)10/h11H,1-4H2,(H,9,10)/t7-/m1/s1
InChI Key:
QZOBNEHDAKPZRP-SSDOTTSWSA-N
SMILES:
O=C1CCC[C@](C1)(O)C(=O)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
2
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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