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114406-55-2 | 2,2-Oxiranedicarboxylic acid, 2-methyl 2-(2-propen-1-yl) ester
CAS No: 114406-55-2 Catalog No: AG000B97 MDL No:
Product Description
Catalog Number:
AG000B97
Chemical Name:
2,2-Oxiranedicarboxylic acid, 2-methyl 2-(2-propen-1-yl) ester
CAS Number:
114406-55-2
Molecular Formula:
C8H10O5
Molecular Weight:
186.1620
IUPAC Name:
2-O-methyl 2-O'-prop-1-enyl oxirane-2,2-dicarboxylate
InChI:
InChI=1S/C8H10O5/c1-3-4-12-7(10)8(5-13-8)6(9)11-2/h3-4H,5H2,1-2H3
InChI Key:
MIAINHNBNUXGDI-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CO1)C(=O)OCC=C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.163g/mol
Monoisotopic Mass:
186.053g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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