methyl 4-(4-formyl-2-methoxy-5-nitrophenoxy)butanoate

methyl 4-(4-formyl-2-methoxy-5-nitrophenoxy)butanoate

CAS: 176375-42-1

Formula: C13H15NO7

SMILES: COC(=O)CCCOC1=C(OC)C=C(C=O)C(=C1)[N+]([O-])=O

IUPAC: methyl 4-(4-formyl-2-methoxy-5-nitrophenoxy)butanoate

InChI: InChI=1S/C13H15NO7/c1-19-11-6-9(8-15)10(14(17)18)7-12(11)21-5-3-4-13(16)20-2/h6-8H,3-5H2,1-2H3

Composition: C (52.53%), H (5.09%), N (4.71%), O (37.67%)

Molar Mass: 297.263

Atom Count: 36

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	297.084851827
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	IAYUODHBFOOQCA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.2
Topological Polar Surface Area	104.97
Polarizability	27.44
Ring Count	1
Rotatable Bond Count	9

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