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19781-78-3 | 1-HEPTEN-4-YNE
CAS No: 19781-78-3 Catalog No: AG002B3M MDL No:
Product Description
Catalog Number:
AG002B3M
Chemical Name:
1-HEPTEN-4-YNE
CAS Number:
19781-78-3
Molecular Formula:
C7H10
Molecular Weight:
94.1543
IUPAC Name:
hept-1-en-4-yne
InChI:
InChI=1S/C7H10/c1-3-5-7-6-4-2/h3H,1,4-5H2,2H3
InChI Key:
MXAOTVQVMJKVGP-UHFFFAOYSA-N
SMILES:
CCC#CCC=C
Properties
Complexity:
97.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.078g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
94.157g/mol
Monoisotopic Mass:
94.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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