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123293-66-3 | 2-Propenoic acid, 3-(3-thienyl)-, ethyl ester, (2E)-
CAS No: 123293-66-3 Catalog No: AG000KA3 MDL No:MFCD07778410
Product Description
Catalog Number:
AG000KA3
Chemical Name:
2-Propenoic acid, 3-(3-thienyl)-, ethyl ester, (2E)-
CAS Number:
123293-66-3
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD07778410
IUPAC Name:
ethyl 3-thiophen-3-ylprop-2-enoate
InChI:
InChI=1S/C9H10O2S/c1-2-11-9(10)4-3-8-5-6-12-7-8/h3-7H,2H2,1H3
InChI Key:
JVKOMXUTXGBJFC-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/c1cscc1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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