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2074-05-7 | HEPTALDEHYDE (DNPH DERIVATIVE)
CAS No: 2074-05-7 Catalog No: AG00BE84 MDL No:MFCD00136318
Product Description
Catalog Number:
AG00BE84
Chemical Name:
HEPTALDEHYDE (DNPH DERIVATIVE)
CAS Number:
2074-05-7
Molecular Formula:
C13H18N4O4
Molecular Weight:
294.3064
MDL Number:
MFCD00136318
IUPAC Name:
N-[(E)-heptylideneamino]-2,4-dinitroaniline
InChI:
InChI=1S/C13H18N4O4/c1-2-3-4-5-6-9-14-15-12-8-7-11(16(18)19)10-13(12)17(20)21/h7-10,15H,2-6H2,1H3/b14-9+
InChI Key:
HAPHKPXFYXPWDK-NTEUORMPSA-N
SMILES:
CCCCCC/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
6128
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
294.133g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.311g/mol
Monoisotopic Mass:
294.133g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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