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87518-72-7 | 2-Propenoic acid, 3-[2-(3-butenyl)-1,3-dioxolan-2-yl]-, methyl ester, (E)-
CAS No: 87518-72-7 Catalog No: AG004DJB MDL No:
Product Description
Catalog Number:
AG004DJB
Chemical Name:
2-Propenoic acid, 3-[2-(3-butenyl)-1,3-dioxolan-2-yl]-, methyl ester, (E)-
CAS Number:
87518-72-7
Molecular Formula:
C11H16O4
Molecular Weight:
212.2423
IUPAC Name:
methyl 3-(2-but-3-enyl-1,3-dioxolan-2-yl)prop-2-enoate
InChI:
InChI=1S/C11H16O4/c1-3-4-6-11(14-8-9-15-11)7-5-10(12)13-2/h3,5,7H,1,4,6,8-9H2,2H3
InChI Key:
WDQYMHXKMYUBHC-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/C1(CCC=C)OCCO1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.245g/mol
Monoisotopic Mass:
212.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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