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21010-06-0 | 2-Thiophenepentanoic acid
CAS No: 21010-06-0 Catalog No: AG002KKI MDL No:MFCD00151849
Product Description
Catalog Number:
AG002KKI
Chemical Name:
2-Thiophenepentanoic acid
CAS Number:
21010-06-0
Molecular Formula:
C9H12O2S
Molecular Weight:
184.2554
MDL Number:
MFCD00151849
IUPAC Name:
5-thiophen-2-ylpentanoic acid
InChI:
InChI=1S/C9H12O2S/c10-9(11)6-2-1-4-8-5-3-7-12-8/h3,5,7H,1-2,4,6H2,(H,10,11)
InChI Key:
OQFTZRHAQGXEQU-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCc1cccs1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.253g/mol
Monoisotopic Mass:
184.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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