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2203-80-7 | 5-METHYL-1-HEXYNE
CAS No: 2203-80-7 Catalog No: AG003MUS MDL No:MFCD00041610
Product Description
Catalog Number:
AG003MUS
Chemical Name:
5-METHYL-1-HEXYNE
CAS Number:
2203-80-7
Molecular Formula:
C7H12
Molecular Weight:
96.1702
MDL Number:
MFCD00041610
IUPAC Name:
5-methylhex-1-yne
InChI:
InChI=1S/C7H12/c1-4-5-6-7(2)3/h1,7H,5-6H2,2-3H3
InChI Key:
HKNANEMUCJGPMS-UHFFFAOYSA-N
SMILES:
C#CCCC(C)C
UNII:
LRO6EA6HK1
Properties
Complexity:
71.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.094g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.173g/mol
Monoisotopic Mass:
96.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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