2-(4-nitrophenoxy)propanoic acid

2-(4-nitrophenoxy)propanoic acid

CAS: 13794-10-0

Formula: C9H9NO5

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

IUPAC: 2-(4-nitrophenoxy)propanoic acid

InChI: InChI=1/C9H9NO5/c1-6(9(11)12)15-8-4-2-7(3-5-8)10(13)14/h2-6H,1H3,(H,11,12)

Composition: C (51.19%), H (4.30%), N (6.63%), O (37.88%)

Molar Mass: 211.173

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	211.048072394
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	OYYFEDUOOFSUGM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.42
Topological Polar Surface Area	89.67
Polarizability	19.05
Ring Count	1
Rotatable Bond Count	4

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