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735275-16-8 | CIS-3-[2-(3-CHLOROPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID
CAS No: 735275-16-8 Catalog No: AG005D44 MDL No:
Product Description
Catalog Number:
AG005D44
Chemical Name:
CIS-3-[2-(3-CHLOROPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID
CAS Number:
735275-16-8
Molecular Formula:
C15H17ClO3
Molecular Weight:
280.7467
IUPAC Name:
(1S,3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C15H17ClO3/c16-13-6-2-4-11(9-13)14(17)8-10-3-1-5-12(7-10)15(18)19/h2,4,6,9-10,12H,1,3,5,7-8H2,(H,18,19)/t10-,12+/m1/s1
InChI Key:
DFBMXSVOJDRHTE-PWSUYJOCSA-N
SMILES:
OC(=O)[C@H]1CCC[C@H](C1)CC(=O)c1cccc(c1)Cl
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
280.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.748g/mol
Monoisotopic Mass:
280.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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