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19841-74-8 | 1,4-Cyclohexadiene, 1-ethyl-
CAS No: 19841-74-8 Catalog No: AG002BIU MDL No:
Product Description
Catalog Number:
AG002BIU
Chemical Name:
1,4-Cyclohexadiene, 1-ethyl-
CAS Number:
19841-74-8
Molecular Formula:
C8H12
Molecular Weight:
108.1809
IUPAC Name:
1-ethylcyclohexa-1,4-diene
InChI:
InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h3-4,7H,2,5-6H2,1H3
InChI Key:
PUQJLFYISQDJKP-UHFFFAOYSA-N
SMILES:
CCC1=CCC=CC1
NSC Number:
102771
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.094g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.184g/mol
Monoisotopic Mass:
108.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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