2-(4-nitrophenoxy)butanoic acid

2-(4-nitrophenoxy)butanoic acid

CAS: 120552-01-4

Formula: C10H11NO5

SMILES: CCC(OC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O

IUPAC: 2-(4-nitrophenoxy)butanoic acid

InChI: InChI=1/C10H11NO5/c1-2-9(10(12)13)16-8-5-3-7(4-6-8)11(14)15/h3-6,9H,2H2,1H3,(H,12,13)

Composition: C (53.33%), H (4.92%), N (6.22%), O (35.52%)

Molar Mass: 225.2

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	225.063722458
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	YPBRRZJQNAFLIJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.94
Topological Polar Surface Area	89.67
Polarizability	20.87
Ring Count	1
Rotatable Bond Count	5

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