5-methoxy-1,3-dimethyl-2-nitrobenzene

5-methoxy-1,3-dimethyl-2-nitrobenzene

CAS: 61019-03-2

Formula: C9H11NO3

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

IUPAC: 5-methoxy-1,3-dimethyl-2-nitrobenzene

InChI: InChI=1S/C9H11NO3/c1-6-4-8(13-3)5-7(2)9(6)10(11)12/h4-5H,1-3H3

Composition: C (59.66%), H (6.12%), N (7.73%), O (26.49%)

Molar Mass: 181.191

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	181.073893218
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	IGRJLJWPPSJVTG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.92
Topological Polar Surface Area	52.37
Polarizability	18.26
Ring Count	1
Rotatable Bond Count	2

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