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72607-35-3 | Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-5-nitro-
CAS No: 72607-35-3 Catalog No: AG005FT5 MDL No:
Product Description
Catalog Number:
AG005FT5
Chemical Name:
Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-5-nitro-
CAS Number:
72607-35-3
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
3-tert-butyl-2-hydroxy-5-nitrobenzaldehyde
InChI:
InChI=1S/C11H13NO4/c1-11(2,3)9-5-8(12(15)16)4-7(6-13)10(9)14/h4-6,14H,1-3H3
InChI Key:
OLYRNMCCQKIUMA-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1O)C(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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