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88036-83-3 | 2-Pyrrolidinone, 4-[[(phenylamino)carbonyl]oxy]-
CAS No: 88036-83-3 Catalog No: AG004N1S MDL No:
Product Description
Catalog Number:
AG004N1S
Chemical Name:
2-Pyrrolidinone, 4-[[(phenylamino)carbonyl]oxy]-
CAS Number:
88036-83-3
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
IUPAC Name:
(5-oxopyrrolidin-3-yl) N-phenylcarbamate
InChI:
InChI=1S/C11H12N2O3/c14-10-6-9(7-12-10)16-11(15)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)(H,13,15)
InChI Key:
KFJSVIJGJOZWDM-UHFFFAOYSA-N
SMILES:
O=C1NCC(C1)OC(=O)Nc1ccccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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