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150655-06-4 | Benzaldehyde, 3-ethoxy-2-hydroxy-5-nitro- (9CI)
CAS No: 150655-06-4 Catalog No: AG00ALL8 MDL No:MFCD00047741
Product Description
Catalog Number:
AG00ALL8
Chemical Name:
Benzaldehyde, 3-ethoxy-2-hydroxy-5-nitro- (9CI)
CAS Number:
150655-06-4
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD00047741
IUPAC Name:
3-ethoxy-2-hydroxy-5-nitrobenzaldehyde
InChI:
InChI=1S/C9H9NO5/c1-2-15-8-4-7(10(13)14)3-6(5-11)9(8)12/h3-5,12H,2H2,1H3
InChI Key:
NGSRGRKMEWROLO-UHFFFAOYSA-N
SMILES:
CCOc1cc(cc(c1O)C=O)[N+](=O)[O-]
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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