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175417-96-6 | Cyclohexanepropanoic acid, 2-oxo-, (1S)-
CAS No: 175417-96-6 Catalog No: AG0020Z3 MDL No:
Product Description
Catalog Number:
AG0020Z3
Chemical Name:
Cyclohexanepropanoic acid, 2-oxo-, (1S)-
CAS Number:
175417-96-6
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
3-[(1S)-2-oxocyclohexyl]propanoic acid
InChI:
InChI=1S/C9H14O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h7H,1-6H2,(H,11,12)/t7-/m0/s1
InChI Key:
JCIZEWRBCTUEFG-ZETCQYMHSA-N
SMILES:
OC(=O)CC[C@@H]1CCCCC1=O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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