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1574-34-1 | 1-Pentyne, 3-methylene-
CAS No: 1574-34-1 Catalog No: AG001PG0 MDL No:
Product Description
Catalog Number:
AG001PG0
Chemical Name:
1-Pentyne, 3-methylene-
CAS Number:
1574-34-1
Molecular Formula:
C6H8
Molecular Weight:
80.1277
IUPAC Name:
3-methylidenepent-1-yne
InChI:
InChI=1S/C6H8/c1-4-6(3)5-2/h1H,3,5H2,2H3
InChI Key:
LAKYCCVWZNCNIO-UHFFFAOYSA-N
SMILES:
CCC(=C)C#C
EC Number:
216-400-5
Properties
Complexity:
89.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
80.063g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
80.13g/mol
Monoisotopic Mass:
80.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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