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13046-02-1

13046-02-1 | 2-Heptyn-4-one, 6-methyl-

CAS No: 13046-02-1 Catalog No: AG000UGL MDL No:

Product Description

Catalog Number:
AG000UGL
Chemical Name:
2-Heptyn-4-one, 6-methyl-
CAS Number:
13046-02-1
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
6-methylhept-2-yn-4-one
InChI:
InChI=1S/C8H12O/c1-4-5-8(9)6-7(2)3/h7H,6H2,1-3H3
InChI Key:
AKNLEQRXVYPWHR-UHFFFAOYSA-N
SMILES:
CC#CC(=O)CC(C)C

Properties

Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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