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123698-22-6 | 1,3-Cyclopentadiene, octyl-
CAS No: 123698-22-6 Catalog No: AG000KYY MDL No:
Product Description
Catalog Number:
AG000KYY
Chemical Name:
1,3-Cyclopentadiene, octyl-
CAS Number:
123698-22-6
Molecular Formula:
C13H22
Molecular Weight:
178.3138
InChI:
InChI=1S/C13H22/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h8-9,11H,2-7,10,12H2,1H3
InChI Key:
JGLVQJXCFCINBL-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1=CC=CC1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.172g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.319g/mol
Monoisotopic Mass:
178.172g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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