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145784-34-5 | 3-Butenoic acid, 2-oxo-4-(2-thienyl)-, ethyl ester, (3E)-
CAS No: 145784-34-5 Catalog No: AG001DEC MDL No:
Product Description
Catalog Number:
AG001DEC
Chemical Name:
3-Butenoic acid, 2-oxo-4-(2-thienyl)-, ethyl ester, (3E)-
CAS Number:
145784-34-5
Molecular Formula:
C10H10O3S
Molecular Weight:
210.2496
IUPAC Name:
ethyl 2-oxo-4-thiophen-2-ylbut-3-enoate
InChI:
InChI=1S/C10H10O3S/c1-2-13-10(12)9(11)6-5-8-4-3-7-14-8/h3-7H,2H2,1H3
InChI Key:
MBAWAUOADDFEJE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)/C=C/c1cccs1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.247g/mol
Monoisotopic Mass:
210.035g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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