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89240-07-3 | 3-Buten-2-one, 4-(1,3-benzodioxol-4-yl)-
CAS No: 89240-07-3 Catalog No: AG0042OF MDL No:
Product Description
Catalog Number:
AG0042OF
Chemical Name:
3-Buten-2-one, 4-(1,3-benzodioxol-4-yl)-
CAS Number:
89240-07-3
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
IUPAC Name:
4-(1,3-benzodioxol-4-yl)but-3-en-2-one
InChI:
InChI=1S/C11H10O3/c1-8(12)5-6-9-3-2-4-10-11(9)14-7-13-10/h2-6H,7H2,1H3
InChI Key:
YEQYUHCPRSRFBM-UHFFFAOYSA-N
SMILES:
CC(=O)C=Cc1cccc2c1OCO2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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