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Home > Aldehydes > 146120-79-8
146120-79-8 | Benzaldehyde, 3,5-dimethoxy-4-[(4-nitrophenyl)methoxy]-
CAS No: 146120-79-8 Catalog No: AG001DP0 MDL No:
Product Description
Catalog Number:
AG001DP0
Chemical Name:
Benzaldehyde, 3,5-dimethoxy-4-[(4-nitrophenyl)methoxy]-
CAS Number:
146120-79-8
Molecular Formula:
C16H15NO6
Molecular Weight:
317.2934
IUPAC Name:
3,5-dimethoxy-4-[(4-nitrophenyl)methoxy]benzaldehyde
InChI:
InChI=1S/C16H15NO6/c1-21-14-7-12(9-18)8-15(22-2)16(14)23-10-11-3-5-13(6-4-11)17(19)20/h3-9H,10H2,1-2H3
InChI Key:
RRXLSDCCVSYMBS-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)cc(c1OCc1ccc(cc1)[N+](=O)[O-])OC
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.09g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.297g/mol
Monoisotopic Mass:
317.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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