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85801-12-3 | 1,3-Cyclopentadiene, 1-pentyl-
CAS No: 85801-12-3 Catalog No: AG004XX4 MDL No:
Product Description
Catalog Number:
AG004XX4
Chemical Name:
1,3-Cyclopentadiene, 1-pentyl-
CAS Number:
85801-12-3
Molecular Formula:
C10H16
Molecular Weight:
136.2340
InChI:
InChI=1S/C10H16/c1-2-3-4-7-10-8-5-6-9-10/h5-6,8H,2-4,7,9H2,1H3
InChI Key:
RIUMFBQICCDHFC-UHFFFAOYSA-N
SMILES:
CCCCCC1=CC=CC1
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.125g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.238g/mol
Monoisotopic Mass:
136.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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