methyl 5-(4-methyl-2-nitrophenoxymethyl)furan-2-carboxylate

methyl 5-(4-methyl-2-nitrophenoxymethyl)furan-2-carboxylate

CAS: 406470-84-6

Formula: C14H13NO6

SMILES: COC(=O)C1=CC=C(COC2=CC=C(C)C=C2[N+]([O-])=O)O1

IUPAC: methyl 5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxylate

InChI: InChI=1S/C14H13NO6/c1-9-3-5-12(11(7-9)15(17)18)20-8-10-4-6-13(21-10)14(16)19-2/h3-7H,8H2,1-2H3

Composition: C (57.73%), H (4.50%), N (4.81%), O (32.96%)

Molar Mass: 291.259

Atom Count: 34

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	291.074287143
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	VFHBZZDZKULWDU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.79
Topological Polar Surface Area	91.81
Polarizability	27.48
Ring Count	2
Rotatable Bond Count	6

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