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methyl 4,5-dimethyl-2-nitrobenzoate

methyl 4,5-dimethyl-2-nitrobenzoate

CAS: 90922-74-0

Formula: C10H11NO4

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

IUPAC: methyl 4,5-dimethyl-2-nitrobenzoate

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

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 BDRRSVADGVAMQA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.49
Topological Polar Surface Area 69.44
Polarizability 20.21
Ring Count 1
Rotatable Bond Count 3

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