7-methyl-5-nitro-2,3-dihydro-1,4-benzodioxine

7-methyl-5-nitro-2,3-dihydro-1,4-benzodioxine

CAS: 1809036-19-8

Formula: C9H9NO4

SMILES: CC1=CC2=C(OCCO2)C(=C1)[N+]([O-])=O

IUPAC: 7-methyl-5-nitro-2,3-dihydro-1,4-benzodioxine

InChI: InChI=1S/C9H9NO4/c1-6-4-7(10(11)12)9-8(5-6)13-2-3-14-9/h4-5H,2-3H2,1H3

Composition: C (55.39%), H (4.65%), N (7.18%), O (32.79%)

Molar Mass: 195.174

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	195.053157774
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	GULHJQHAMGELCN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.38
Topological Polar Surface Area	61.6
Polarizability	18.35
Ring Count	2
Rotatable Bond Count	1

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