methyl 4-(2-methoxy-2-oxoethyl)-3-nitrobenzoate

methyl 4-(2-methoxy-2-oxoethyl)-3-nitrobenzoate

CAS: 334952-07-7

Formula: C11H11NO6

SMILES: COC(=O)CC1=CC=C(C=C1[N+]([O-])=O)C(=O)OC

IUPAC: methyl 4-(2-methoxy-2-oxoethyl)-3-nitrobenzoate

InChI: InChI=1S/C11H11NO6/c1-17-10(13)6-7-3-4-8(11(14)18-2)5-9(7)12(15)16/h3-5H,6H2,1-2H3

Composition: C (52.18%), H (4.38%), N (5.53%), O (37.91%)

Molar Mass: 253.21

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	253.058637078
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	DCDSLKRPXTVJSA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.48
Topological Polar Surface Area	95.74
Polarizability	23.06
Ring Count	1
Rotatable Bond Count	6

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