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1655-05-6 | Cyclohexene, 1-(1-propyn-1-yl)-
CAS No: 1655-05-6 Catalog No: AG001W6Q MDL No:
Product Description
Catalog Number:
AG001W6Q
Chemical Name:
Cyclohexene, 1-(1-propyn-1-yl)-
CAS Number:
1655-05-6
Molecular Formula:
C9H12
Molecular Weight:
120.1916
IUPAC Name:
1-prop-1-ynylcyclohexene
InChI:
InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h7H,3-5,8H2,1H3
InChI Key:
OLAMMXKLCDFHMR-UHFFFAOYSA-N
SMILES:
CC#CC1=CCCCC1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.094g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.195g/mol
Monoisotopic Mass:
120.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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