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248255-04-1 | Cyclopentaneacetic acid, 1-(2-thienylmethyl)-
CAS No: 248255-04-1 Catalog No: AG002PJS MDL No:
Product Description
Catalog Number:
AG002PJS
Chemical Name:
Cyclopentaneacetic acid, 1-(2-thienylmethyl)-
CAS Number:
248255-04-1
Molecular Formula:
C12H16O2S
Molecular Weight:
224.3192
IUPAC Name:
2-[1-(thiophen-2-ylmethyl)cyclopentyl]acetic acid
InChI:
InChI=1S/C12H16O2S/c13-11(14)9-12(5-1-2-6-12)8-10-4-3-7-15-10/h3-4,7H,1-2,5-6,8-9H2,(H,13,14)
InChI Key:
WCNBVGYYLGTDKN-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(CCCC1)Cc1cccs1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.318g/mol
Monoisotopic Mass:
224.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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