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87862-71-3 | Oxiranepropanoic acid, 3-(1,3-benzodioxol-5-yl)-, ethyl ester
CAS No: 87862-71-3 Catalog No: AG004IWY MDL No:
Product Description
Catalog Number:
AG004IWY
Chemical Name:
Oxiranepropanoic acid, 3-(1,3-benzodioxol-5-yl)-, ethyl ester
CAS Number:
87862-71-3
Molecular Formula:
C14H16O5
Molecular Weight:
264.2738
IUPAC Name:
ethyl 3-[3-(1,3-benzodioxol-5-yl)oxiran-2-yl]propanoate
InChI:
InChI=1S/C14H16O5/c1-2-16-13(15)6-5-11-14(19-11)9-3-4-10-12(7-9)18-8-17-10/h3-4,7,11,14H,2,5-6,8H2,1H3
InChI Key:
NZLUQRKGRDZVLC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC1OC1c1ccc2c(c1)OCO2
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.277g/mol
Monoisotopic Mass:
264.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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