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2-methyl-2-(2-nitrophenyl)propanoic acid

2-methyl-2-(2-nitrophenyl)propanoic acid

CAS: 126802-52-6

Formula: C10H11NO4

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

IUPAC: 2-methyl-2-(2-nitrophenyl)propanoic acid

InChI: InChI=1S/C10H11NO4/c1-10(2,9(12)13)7-5-3-4-6-8(7)11(14)15/h3-6H,1-2H3,(H,12,13)

Composition: C (57.41%), H (5.30%), N (6.70%), O (30.59%)

Molar Mass: 209.201

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 209.068807838
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey MBYUEHBQZXQBKX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.76
Topological Polar Surface Area 80.44
Polarizability 20.13
Ring Count 1
Rotatable Bond Count 3

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