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819-44-3 | 1-Hexen-3-yne, 5-chloro-5-methyl-
CAS No: 819-44-3 Catalog No: AG004ZTX MDL No:
Product Description
Catalog Number:
AG004ZTX
Chemical Name:
1-Hexen-3-yne, 5-chloro-5-methyl-
CAS Number:
819-44-3
Molecular Formula:
C7H9Cl
Molecular Weight:
128.5994
IUPAC Name:
5-chloro-5-methylhex-1-en-3-yne
InChI:
InChI=1S/C7H9Cl/c1-4-5-6-7(2,3)8/h4H,1H2,2-3H3
InChI Key:
MCXPOGYVVMJKMP-UHFFFAOYSA-N
SMILES:
C=CC#CC(Cl)(C)C
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.039g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.599g/mol
Monoisotopic Mass:
128.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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