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ethyl 3-methyl-4-nitrobenzoate

ethyl 3-methyl-4-nitrobenzoate

CAS: 30650-90-9

Formula: C10H11NO4

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

IUPAC: ethyl 3-methyl-4-nitrobenzoate

InChI: InChI=1S/C10H11NO4/c1-3-15-10(12)8-4-5-9(11(13)14)7(2)6-8/h4-6H,3H2,1-2H3

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 3
Hydrogen Bond Donor Count 0
InChIKey OAXJZQMFWBIRKF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.19
Topological Polar Surface Area 69.44
Polarizability 20.28
Ring Count 1
Rotatable Bond Count 4

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