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Home > Other Building Blocks > 81581-27-3
81581-27-3 | 3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester
CAS No: 81581-27-3 Catalog No: AG0058EK MDL No:MFCD01463468
Product Description
Catalog Number:
AG0058EK
Chemical Name:
3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester
CAS Number:
81581-27-3
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
MDL Number:
MFCD01463468
IUPAC Name:
ethyl 3-(1,3-benzodioxol-5-yl)-3-oxopropanoate
InChI:
InChI=1S/C12H12O5/c1-2-15-12(14)6-9(13)8-3-4-10-11(5-8)17-7-16-10/h3-5H,2,6-7H2,1H3
InChI Key:
UGSBCTHYWAADNY-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1ccc2c(c1)OCO2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.223g/mol
Monoisotopic Mass:
236.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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