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88016-05-1 | Urea, N-(5-oxo-3-pyrrolidinyl)-N'-phenyl-
CAS No: 88016-05-1 Catalog No: AG004GOB MDL No:
Product Description
Catalog Number:
AG004GOB
Chemical Name:
Urea, N-(5-oxo-3-pyrrolidinyl)-N'-phenyl-
CAS Number:
88016-05-1
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
IUPAC Name:
1-(5-oxopyrrolidin-3-yl)-3-phenylurea
InChI:
InChI=1S/C11H13N3O2/c15-10-6-9(7-12-10)14-11(16)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,15)(H2,13,14,16)
InChI Key:
PHOKBDRWQKSYDA-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)NC1CNC(=O)C1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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