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122417-23-6 | 3-Thiophenebutanoic acid, methyl ester
CAS No: 122417-23-6 Catalog No: AG00177A MDL No:
Product Description
Catalog Number:
AG00177A
Chemical Name:
3-Thiophenebutanoic acid, methyl ester
CAS Number:
122417-23-6
Molecular Formula:
C9H12O2S
Molecular Weight:
184.2554
IUPAC Name:
methyl 4-thiophen-3-ylbutanoate
InChI:
InChI=1S/C9H12O2S/c1-11-9(10)4-2-3-8-5-6-12-7-8/h5-7H,2-4H2,1H3
InChI Key:
OVGQHSQVDXREMA-UHFFFAOYSA-N
SMILES:
COC(=O)CCCc1cscc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
184.253g/mol
Monoisotopic Mass:
184.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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