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88016-15-3 | 2-Pyrrolidinone, 4-(1,3-benzodioxol-5-ylcarbonyl)-
CAS No: 88016-15-3 Catalog No: AG004GO9 MDL No:
Product Description
Catalog Number:
AG004GO9
Chemical Name:
2-Pyrrolidinone, 4-(1,3-benzodioxol-5-ylcarbonyl)-
CAS Number:
88016-15-3
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
4-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-one
InChI:
InChI=1S/C12H11NO4/c14-11-4-8(5-13-11)12(15)7-1-2-9-10(3-7)17-6-16-9/h1-3,8H,4-6H2,(H,13,14)
InChI Key:
VNYJTVOACWVPRH-UHFFFAOYSA-N
SMILES:
O=C1NCC(C1)C(=O)c1ccc2c(c1)OCO2
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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