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13818-44-5 | 2-Propenoic acid, 2-methyl-, (2-oxo-1,3-dioxolan-4-yl)methyl ester
CAS No: 13818-44-5 Catalog No: AG001850 MDL No:
Product Description
Catalog Number:
AG001850
Chemical Name:
2-Propenoic acid, 2-methyl-, (2-oxo-1,3-dioxolan-4-yl)methyl ester
CAS Number:
13818-44-5
Molecular Formula:
C8H10O5
Molecular Weight:
186.1620
IUPAC Name:
(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate
InChI:
InChI=1S/C8H10O5/c1-5(2)7(9)11-3-6-4-12-8(10)13-6/h6H,1,3-4H2,2H3
InChI Key:
NUTJVZGIRRFKKI-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)OCC1COC(=O)O1
EC Number:
604-066-7
Properties
Complexity:
245
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:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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