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30346-45-3 | 3-Pyrazolidinone, 4-(hydroxymethyl)-1-phenyl-
CAS No: 30346-45-3 Catalog No: AG002ZTR MDL No:
Product Description
Catalog Number:
AG002ZTR
Chemical Name:
3-Pyrazolidinone, 4-(hydroxymethyl)-1-phenyl-
CAS Number:
30346-45-3
Molecular Formula:
C10H12N2O2
Molecular Weight:
192.2145
IUPAC Name:
4-(hydroxymethyl)-1-phenylpyrazolidin-3-one
InChI:
InChI=1S/C10H12N2O2/c13-7-8-6-12(11-10(8)14)9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H,11,14)
InChI Key:
KMXZBJKUSIYRPG-UHFFFAOYSA-N
SMILES:
OCC1CN(NC1=O)c1ccccc1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.218g/mol
Monoisotopic Mass:
192.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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