1,4-dimethoxy-2-[(1E)-2-nitroethenyl]benzene

1,4-dimethoxy-2-[(1E)-2-nitroethenyl]benzene

CAS: 40276-11-7

Formula: C10H11NO4

SMILES: COC1=CC=C(OC)C(C=C[N+]([O-])=O)=C1

IUPAC: 1,4-dimethoxy-2-[(1E)-2-nitroethenyl]benzene

InChI: InChI=1S/C10H11NO4/c1-14-9-3-4-10(15-2)8(7-9)5-6-11(12)13/h3-7H,1-2H3/b6-5+

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	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	IRRZIWHEPWPPJF-AATRIKPKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.97
Topological Polar Surface Area	61.6
Polarizability	20.74
Ring Count	1
Rotatable Bond Count	4

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