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114987-03-0 | 1,3-Cyclopentadiene, 2,5-bis(1,1-dimethylethyl)-
CAS No: 114987-03-0 Catalog No: AG000FJH MDL No:
Product Description
Catalog Number:
AG000FJH
Chemical Name:
1,3-Cyclopentadiene, 2,5-bis(1,1-dimethylethyl)-
CAS Number:
114987-03-0
Molecular Formula:
C13H22
Molecular Weight:
178.3138
InChI:
InChI=1S/C13H22/c1-12(2,3)10-7-8-11(9-10)13(4,5)6/h7-10H,1-6H3
InChI Key:
RADVPPBTEASJRZ-UHFFFAOYSA-N
SMILES:
CC(C1C=CC(=C1)C(C)(C)C)(C)C
Properties
Complexity:
240
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:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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