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735269-79-1 | CIS-3-(4-CHLOROBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
CAS No: 735269-79-1 Catalog No: AG005D49 MDL No:
Product Description
Catalog Number:
AG005D49
Chemical Name:
CIS-3-(4-CHLOROBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
CAS Number:
735269-79-1
Molecular Formula:
C14H15ClO3
Molecular Weight:
266.7201
IUPAC Name:
(1R,3S)-3-(4-chlorobenzoyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C14H15ClO3/c15-12-6-4-9(5-7-12)13(16)10-2-1-3-11(8-10)14(17)18/h4-7,10-11H,1-3,8H2,(H,17,18)/t10-,11+/m0/s1
InChI Key:
RUYKAHCJBCRSKL-WDEREUQCSA-N
SMILES:
OC(=O)[C@H]1CCC[C@H](C1)C(=O)c1ccc(cc1)Cl
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
266.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.721g/mol
Monoisotopic Mass:
266.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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