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87989-02-4 | 1-Penten-3-one, 2-azido-1-[(1,1-dimethylethyl)imino]-4,4-dimethyl-
CAS No: 87989-02-4 Catalog No: AG004OQZ MDL No:
Product Description
Catalog Number:
AG004OQZ
Chemical Name:
1-Penten-3-one, 2-azido-1-[(1,1-dimethylethyl)imino]-4,4-dimethyl-
CAS Number:
87989-02-4
Molecular Formula:
C11H18N4O
Molecular Weight:
222.2868
IUPAC Name:
2-azido-1-tert-butylimino-4,4-dimethylpent-1-en-3-one
InChI:
InChI=1S/C11H18N4O/c1-10(2,3)9(16)8(14-15-12)7-13-11(4,5)6/h1-6H3
InChI Key:
KTWKRODVNPVOHU-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC(=C=NC(C)(C)C)C(=O)C(C)(C)C
Properties
Complexity:
383
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.148g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.292g/mol
Monoisotopic Mass:
222.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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