1-benzylpyrazolidin-3-one

1-benzylpyrazolidin-3-one

CAS: 17826-70-9

Formula: C10H12N2O

SMILES: O=C1CCN(CC2=CC=CC=C2)N1

IUPAC: 1-benzylpyrazolidin-3-one

InChI: InChI=1S/C10H12N2O/c13-10-6-7-12(11-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13)

Composition: C (68.16%), H (6.86%), N (15.90%), O (9.08%)

Molar Mass: 176.219

Atom Count: 25

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	176.094963014
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NDZNPLRKGDSLQX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.31
Topological Polar Surface Area	32.34
Polarizability	19.6
Ring Count	2
Rotatable Bond Count	2

Suppliers

Key Organics Ltd

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95%	<2 Days	17826-70-9		$51.35-$374.73$51.35$63.37$86.31$374.73

AA BLOCKS INC

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97%	<6 Days	17826-70-9		$341.55-$493.35$341.55$493.35