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733740-13-1 | CIS-2-(3-CHLOROBENZOYL)CYCLOPENTANE-1-CARBOXYLIC ACID
CAS No: 733740-13-1 Catalog No: AG005EMF MDL No:
Product Description
Catalog Number:
AG005EMF
Chemical Name:
CIS-2-(3-CHLOROBENZOYL)CYCLOPENTANE-1-CARBOXYLIC ACID
CAS Number:
733740-13-1
Molecular Formula:
C13H13ClO3
Molecular Weight:
252.6935
IUPAC Name:
(1R,2S)-2-(3-chlorobenzoyl)cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C13H13ClO3/c14-9-4-1-3-8(7-9)12(15)10-5-2-6-11(10)13(16)17/h1,3-4,7,10-11H,2,5-6H2,(H,16,17)/t10-,11+/m0/s1
InChI Key:
HIAYQFAKTWUOBD-WDEREUQCSA-N
SMILES:
OC(=O)[C@@H]1CCC[C@@H]1C(=O)c1cccc(c1)Cl
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
252.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.694g/mol
Monoisotopic Mass:
252.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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