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127130-69-2 | 5-Hepten-1-yne, (E)- (9CI)
CAS No: 127130-69-2 Catalog No: AG000WPR MDL No:
Product Description
Catalog Number:
AG000WPR
Chemical Name:
5-Hepten-1-yne, (E)- (9CI)
CAS Number:
127130-69-2
Molecular Formula:
C7H10
Molecular Weight:
94.1543
IUPAC Name:
hept-5-en-1-yne
InChI:
InChI=1S/C7H10/c1-3-5-7-6-4-2/h1,4,6H,5,7H2,2H3
InChI Key:
OWWQSLQDQSMIDE-UHFFFAOYSA-N
SMILES:
C/C=C/CCC#C
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:
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:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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