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Home > Aldehydes > 178686-24-3
178686-24-3 | Benzaldehyde, 3-ethoxy-4-hydroxy-5-nitro-
CAS No: 178686-24-3 Catalog No: AG002686 MDL No:MFCD00058678
Product Description
Catalog Number:
AG002686
Chemical Name:
Benzaldehyde, 3-ethoxy-4-hydroxy-5-nitro-
CAS Number:
178686-24-3
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD00058678
IUPAC Name:
3-ethoxy-4-hydroxy-5-nitrobenzaldehyde
InChI:
InChI=1S/C9H9NO5/c1-2-15-8-4-6(5-11)3-7(9(8)12)10(13)14/h3-5,12H,2H2,1H3
InChI Key:
MDWLNBVKBMKTKN-UHFFFAOYSA-N
SMILES:
CCOc1cc(C=O)cc(c1O)[N+](=O)[O-]
EC Number:
605-831-8
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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