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88580-70-5 | 2-Pyrrolidinone, 4-(4-aminophenyl)-3-hydroxy-5-(hydroxymethyl)-
CAS No: 88580-70-5 Catalog No: AG004BD9 MDL No:
Product Description
Catalog Number:
AG004BD9
Chemical Name:
2-Pyrrolidinone, 4-(4-aminophenyl)-3-hydroxy-5-(hydroxymethyl)-
CAS Number:
88580-70-5
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
IUPAC Name:
4-(4-aminophenyl)-3-hydroxy-5-(hydroxymethyl)pyrrolidin-2-one
InChI:
InChI=1S/C11H14N2O3/c12-7-3-1-6(2-4-7)9-8(5-14)13-11(16)10(9)15/h1-4,8-10,14-15H,5,12H2,(H,13,16)
InChI Key:
DMIGRQSRVAMLAF-UHFFFAOYSA-N
SMILES:
OCC1NC(=O)C(C1c1ccc(cc1)N)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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