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176375-42-1 | Butanoic acid, 4-(4-formyl-2-methoxy-5-nitrophenoxy)-, methyl ester
CAS No: 176375-42-1 Catalog No: AG0024ME MDL No:
Product Description
Catalog Number:
AG0024ME
Chemical Name:
Butanoic acid, 4-(4-formyl-2-methoxy-5-nitrophenoxy)-, methyl ester
CAS Number:
176375-42-1
Molecular Formula:
C13H15NO7
Molecular Weight:
297.2607
IUPAC Name:
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
InChI Key:
IAYUODHBFOOQCA-UHFFFAOYSA-N
SMILES:
COC(=O)CCCOc1cc([N+](=O)[O-])c(cc1OC)C=O
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.263g/mol
Monoisotopic Mass:
297.085g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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