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873208-18-5 | 2-Propenoic acid,3-(3-methyl-2-thienyl)-, methyl ester
CAS No: 873208-18-5 Catalog No: AG004OO4 MDL No:
Product Description
Catalog Number:
AG004OO4
Chemical Name:
2-Propenoic acid,3-(3-methyl-2-thienyl)-, methyl ester
CAS Number:
873208-18-5
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
IUPAC Name:
methyl (E)-3-(3-methylthiophen-2-yl)prop-2-enoate
InChI:
InChI=1S/C9H10O2S/c1-7-5-6-12-8(7)3-4-9(10)11-2/h3-6H,1-2H3/b4-3+
InChI Key:
RDQFIVCKWROECC-ONEGZZNKSA-N
SMILES:
COC(=O)C=Cc1sccc1C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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