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88418-73-9 | 2-Thiophenecarboxylic acid, 2,5-dihydro-5-pentyl-, cis-
CAS No: 88418-73-9 Catalog No: AG004EWM MDL No:
Product Description
Catalog Number:
AG004EWM
Chemical Name:
2-Thiophenecarboxylic acid, 2,5-dihydro-5-pentyl-, cis-
CAS Number:
88418-73-9
Molecular Formula:
C10H16O2S
Molecular Weight:
200.2978
IUPAC Name:
(2R,5R)-5-pentyl-2,5-dihydrothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H16O2S/c1-2-3-4-5-8-6-7-9(13-8)10(11)12/h6-9H,2-5H2,1H3,(H,11,12)/t8-,9-/m1/s1
InChI Key:
AVXHZMBGAQERTQ-RKDXNWHRSA-N
SMILES:
CCCCC[C@H]1S[C@H](C=C1)C(=O)O
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
200.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.296g/mol
Monoisotopic Mass:
200.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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