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1000-44-8

1000-44-8 | 1,3-Hexadiyne, 5-chloro-5-methyl-

CAS No: 1000-44-8 Catalog No: AG00008P MDL No:

Product Description

Catalog Number:
AG00008P
Chemical Name:
1,3-Hexadiyne, 5-chloro-5-methyl-
CAS Number:
1000-44-8
Molecular Formula:
C7H7Cl
Molecular Weight:
126.5835
IUPAC Name:
5-chloro-5-methylhexa-1,3-diyne
InChI:
InChI=1S/C7H7Cl/c1-4-5-6-7(2,3)8/h1H,2-3H3
InChI Key:
LOPPANPTCQSIJA-UHFFFAOYSA-N
SMILES:
C#CC#CC(Cl)(C)C

Properties

Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.024g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.583g/mol
Monoisotopic Mass:
126.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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