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732252-49-2 | CIS-3-(2-ETHYLBENZOYL)CYCLOPENTANE-1-CARBOXYLIC ACID
CAS No: 732252-49-2 Catalog No: AG005FJI MDL No:
Product Description
Catalog Number:
AG005FJI
Chemical Name:
CIS-3-(2-ETHYLBENZOYL)CYCLOPENTANE-1-CARBOXYLIC ACID
CAS Number:
732252-49-2
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
IUPAC Name:
(1R,3S)-3-(2-ethylbenzoyl)cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C15H18O3/c1-2-10-5-3-4-6-13(10)14(16)11-7-8-12(9-11)15(17)18/h3-6,11-12H,2,7-9H2,1H3,(H,17,18)/t11-,12+/m0/s1
InChI Key:
BHEDYVCNZCWUGU-NWDGAFQWSA-N
SMILES:
CCc1ccccc1C(=O)[C@@H]1CC[C@@H](C1)C(=O)O
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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