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102053-79-2 | 2-Propenoic acid, 3-(2-acetyl-3-thienyl)-, methyl ester, (E)- (9CI)
CAS No: 102053-79-2 Catalog No: AG0006H2 MDL No:
Product Description
Catalog Number:
AG0006H2
Chemical Name:
2-Propenoic acid, 3-(2-acetyl-3-thienyl)-, methyl ester, (E)- (9CI)
CAS Number:
102053-79-2
Molecular Formula:
C10H10O3S
Molecular Weight:
210.2496
IUPAC Name:
methyl 3-(2-acetylthiophen-3-yl)prop-2-enoate
InChI:
InChI=1S/C10H10O3S/c1-7(11)10-8(5-6-14-10)3-4-9(12)13-2/h3-6H,1-2H3
InChI Key:
NBBFJNAVEDZGER-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/c1ccsc1C(=O)C
Properties
Complexity:
260
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:
4
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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