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140623-68-3 | 2-Oxiranecarboxylic acid, 3-(2-thienyl)-, 1-methylethyl ester
CAS No: 140623-68-3 Catalog No: AG001CKX MDL No:
Product Description
Catalog Number:
AG001CKX
Chemical Name:
2-Oxiranecarboxylic acid, 3-(2-thienyl)-, 1-methylethyl ester
CAS Number:
140623-68-3
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
IUPAC Name:
propan-2-yl 3-thiophen-2-yloxirane-2-carboxylate
InChI:
InChI=1S/C10H12O3S/c1-6(2)12-10(11)9-8(13-9)7-4-3-5-14-7/h3-6,8-9H,1-2H3
InChI Key:
YKLYMRQUGLXOJO-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C1OC1c1cccs1)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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