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1505-47-1 | 3-THIOPHENEBUTANOIC ACID
CAS No: 1505-47-1 Catalog No: AG001MNU MDL No:MFCD08064092
Product Description
Catalog Number:
AG001MNU
Chemical Name:
3-THIOPHENEBUTANOIC ACID
CAS Number:
1505-47-1
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
MDL Number:
MFCD08064092
IUPAC Name:
4-thiophen-3-ylbutanoic acid
InChI:
InChI=1S/C8H10O2S/c9-8(10)3-1-2-7-4-5-11-6-7/h4-6H,1-3H2,(H,9,10)
InChI Key:
QICKSFILIHOSPO-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1cscc1
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.226g/mol
Monoisotopic Mass:
170.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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