3-benzyl-5-(2-nitrophenoxymethyl)oxolan-2-one

3-benzyl-5-(2-nitrophenoxymethyl)oxolan-2-one

CAS: 890405-51-3

Formula: C18H17NO5

SMILES: [O-][N+](=O)C1=CC=CC=C1OCC1CC(CC2=CC=CC=C2)C(=O)O1

IUPAC: 3-benzyl-5-[(2-nitrophenoxy)methyl]oxolan-2-one

InChI: InChI=1/C18H17NO5/c20-18-14(10-13-6-2-1-3-7-13)11-15(24-18)12-23-17-9-5-4-8-16(17)19(21)22/h1-9,14-15H,10-12H2

Composition: C (66.05%), H (5.23%), N (4.28%), O (24.44%)

Molar Mass: 327.336

Atom Count: 41

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	327.110672651
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	AXPZIVKEZRHGAS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.12
Topological Polar Surface Area	78.67
Polarizability	33.57
Ring Count	3
Rotatable Bond Count	6

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