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25148-01-0 | 1,3-Cyclopentadiene, 3-ethyl-1-methyl-
CAS No: 25148-01-0 Catalog No: AG002QN9 MDL No:MFCD13185930
Product Description
Catalog Number:
AG002QN9
Chemical Name:
1,3-Cyclopentadiene, 3-ethyl-1-methyl-
CAS Number:
25148-01-0
Molecular Formula:
C8H12
Molecular Weight:
108.1809
MDL Number:
MFCD13185930
IUPAC Name:
3-ethyl-1-methylcyclopenta-1,3-diene
InChI:
InChI=1S/C8H12/c1-3-8-5-4-7(2)6-8/h5-6H,3-4H2,1-2H3
InChI Key:
AOUGDAYMVXBDDZ-UHFFFAOYSA-N
SMILES:
CCC1=CCC(=C1)C
Properties
Complexity:
138
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:
2.1
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