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Home > Nitro Compounds > 29197-16-8
29197-16-8 | 3-[(4-nitrophenyl)methylidene]pentane-2,4-dione
CAS No: 29197-16-8 Catalog No: AG00INHA MDL No:MFCD00905946
Product Description
Catalog Number:
AG00INHA
Chemical Name:
3-[(4-nitrophenyl)methylidene]pentane-2,4-dione
CAS Number:
29197-16-8
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
MDL Number:
MFCD00905946
IUPAC Name:
3-[(4-nitrophenyl)methylidene]pentane-2,4-dione
InChI:
InChI=1S/C12H11NO4/c1-8(14)12(9(2)15)7-10-3-5-11(6-4-10)13(16)17/h3-7H,1-2H3
InChI Key:
YZFGYWARVCXNKL-UHFFFAOYSA-N
SMILES:
CC(=O)C(=Cc1ccc(cc1)[N+](=O)[O-])C(=O)C
NSC Number:
637181
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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