4-formyl-2-methoxy-3-nitrophenyl acetate

4-formyl-2-methoxy-3-nitrophenyl acetate

CAS: 2698-69-3

Formula: C10H9NO6

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

IUPAC: 4-formyl-2-methoxy-3-nitrophenyl acetate

InChI: InChI=1S/C10H9NO6/c1-6(13)17-8-4-3-7(5-12)9(11(14)15)10(8)16-2/h3-5H,1-2H3

Composition: C (50.22%), H (3.79%), N (5.86%), O (40.13%)

Molar Mass: 239.183

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	239.042987014
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	HCFBQKXQWQSMNV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.56
Topological Polar Surface Area	95.74
Polarizability	21.23
Ring Count	1
Rotatable Bond Count	5

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