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136506-09-7 | 5-Heptyn-2-one, 1-diazo-3,3-dimethyl-
CAS No: 136506-09-7 Catalog No: AG0011XN MDL No:
Product Description
Catalog Number:
AG0011XN
Chemical Name:
5-Heptyn-2-one, 1-diazo-3,3-dimethyl-
CAS Number:
136506-09-7
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
IUPAC Name:
1-diazo-3,3-dimethylhept-5-yn-2-one
InChI:
InChI=1S/C9H12N2O/c1-4-5-6-9(2,3)8(12)7-11-10/h7H,6H2,1-3H3
InChI Key:
MTCSAJRNLUUMQI-UHFFFAOYSA-N
SMILES:
CC#CCC(C(=O)C=[N+]=[N-])(C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
19.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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