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733740-35-7 | CIS-3-[2-(3-CHLOROPHENYL)-2-OXOETHYL]CYCLOPENTANE-1-CARBOXYLIC ACID
CAS No: 733740-35-7 Catalog No: AG005EJP MDL No:
Product Description
Catalog Number:
AG005EJP
Chemical Name:
CIS-3-[2-(3-CHLOROPHENYL)-2-OXOETHYL]CYCLOPENTANE-1-CARBOXYLIC ACID
CAS Number:
733740-35-7
Molecular Formula:
C14H15ClO3
Molecular Weight:
266.7201
IUPAC Name:
(1S,3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C14H15ClO3/c15-12-3-1-2-10(8-12)13(16)7-9-4-5-11(6-9)14(17)18/h1-3,8-9,11H,4-7H2,(H,17,18)/t9-,11+/m1/s1
InChI Key:
IIOQTZVKLXWQLL-KOLCDFICSA-N
SMILES:
OC(=O)[C@H]1CC[C@H](C1)CC(=O)c1cccc(c1)Cl
Properties
Complexity:
329
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:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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