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1227732-30-0 | 3-Thiophenepropanoic acid, α-(acetylamino)-, methyl ester
CAS No: 1227732-30-0 Catalog No: AG000JFT MDL No:MFCD26523295
Product Description
Catalog Number:
AG000JFT
Chemical Name:
3-Thiophenepropanoic acid, α-(acetylamino)-, methyl ester
CAS Number:
1227732-30-0
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
MDL Number:
MFCD26523295
IUPAC Name:
methyl 2-acetamido-3-thiophen-3-ylpropanoate
InChI:
InChI=1S/C10H13NO3S/c1-7(12)11-9(10(13)14-2)5-8-3-4-15-6-8/h3-4,6,9H,5H2,1-2H3,(H,11,12)
InChI Key:
KIBAXJBKVYCWDP-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1cscc1)NC(=O)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.278g/mol
Monoisotopic Mass:
227.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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