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23673-46-3 | 1-Cyclohexene-1-carboxylic acid, 3-oxo-6-phenyl-
CAS No: 23673-46-3 Catalog No: AG002O46 MDL No:
Product Description
Catalog Number:
AG002O46
Chemical Name:
1-Cyclohexene-1-carboxylic acid, 3-oxo-6-phenyl-
CAS Number:
23673-46-3
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
IUPAC Name:
3-oxo-6-phenylcyclohexene-1-carboxylic acid
InChI:
InChI=1S/C13H12O3/c14-10-6-7-11(12(8-10)13(15)16)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2,(H,15,16)
InChI Key:
CNSIIZPEWAVOMI-UHFFFAOYSA-N
SMILES:
OC(=O)C1=CC(=O)CCC1c1ccccc1
NSC Number:
165200
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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