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99758-72-2 | Benzaldehyde, 2-(1,1-dimethylethyl)-4,5,6-trimethyl-3-nitro-
CAS No: 99758-72-2 Catalog No: AG006AJA MDL No:
Product Description
Catalog Number:
AG006AJA
Chemical Name:
Benzaldehyde, 2-(1,1-dimethylethyl)-4,5,6-trimethyl-3-nitro-
CAS Number:
99758-72-2
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
IUPAC Name:
2-tert-butyl-4,5,6-trimethyl-3-nitrobenzaldehyde
InChI:
InChI=1S/C14H19NO3/c1-8-9(2)11(7-16)12(14(4,5)6)13(10(8)3)15(17)18/h7H,1-6H3
InChI Key:
JOCXRNRYBKXVCI-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)c(C)c(c(c1C(C)(C)C)[N+](=O)[O-])C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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