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Home > Aldehydes > 886504-26-3
886504-26-3 | 2-Hydroxy-5-isopropyl-3-nitro-benzaldehyde
CAS No: 886504-26-3 Catalog No: AG01EYFS MDL No:
Product Description
Catalog Number:
AG01EYFS
Chemical Name:
2-Hydroxy-5-isopropyl-3-nitro-benzaldehyde
CAS Number:
886504-26-3
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
IUPAC Name:
2-hydroxy-3-nitro-5-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C10H11NO4/c1-6(2)7-3-8(5-12)10(13)9(4-7)11(14)15/h3-6,13H,1-2H3
InChI Key:
YCZJAUBIQJJCRJ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1O)[N+](=O)[O-])C(C)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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