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Home > Aldehydes > 863546-29-6
863546-29-6 | Benzaldehyde, 4-hydroxy-3-methoxy-5-nitroso-
CAS No: 863546-29-6 Catalog No: AG004QVJ MDL No:
Product Description
Catalog Number:
AG004QVJ
Chemical Name:
Benzaldehyde, 4-hydroxy-3-methoxy-5-nitroso-
CAS Number:
863546-29-6
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
IUPAC Name:
4-hydroxy-3-methoxy-5-nitrosobenzaldehyde
InChI:
InChI=1S/C8H7NO4/c1-13-7-3-5(4-10)2-6(9-12)8(7)11/h2-4,11H,1H3
InChI Key:
JUQRVPGIXITMDW-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OC)c(c(c1)N=O)O
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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