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13047-13-7 | 3-Pyrazolidinone, 4-(hydroxymethyl)-4-methyl-1-phenyl-
CAS No: 13047-13-7 Catalog No: AG000UHA MDL No:MFCD00055653
Product Description
Catalog Number:
AG000UHA
Chemical Name:
3-Pyrazolidinone, 4-(hydroxymethyl)-4-methyl-1-phenyl-
CAS Number:
13047-13-7
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
MDL Number:
MFCD00055653
IUPAC Name:
4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
InChI:
InChI=1S/C11H14N2O2/c1-11(8-14)7-13(12-10(11)15)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3,(H,12,15)
InChI Key:
DSVIHYOAKPVFEH-UHFFFAOYSA-N
SMILES:
OCC1(C)CN(NC1=O)c1ccccc1
EC Number:
235-920-3
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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