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116145-19-8 | 6-Heptynal, 3-ethenyl-
CAS No: 116145-19-8 Catalog No: AG000BQX MDL No:
Product Description
Catalog Number:
AG000BQX
Chemical Name:
6-Heptynal, 3-ethenyl-
CAS Number:
116145-19-8
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
IUPAC Name:
3-ethenylhept-6-ynal
InChI:
InChI=1S/C9H12O/c1-3-5-6-9(4-2)7-8-10/h1,4,8-9H,2,5-7H2
InChI Key:
MJYOHCCPTTXBHT-UHFFFAOYSA-N
SMILES:
O=CCC(CCC#C)C=C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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