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14947-22-9 | 1,3-Cycloheptadiene, 1-methyl-
CAS No: 14947-22-9 Catalog No: AG001LQI MDL No:
Product Description
Catalog Number:
AG001LQI
Chemical Name:
1,3-Cycloheptadiene, 1-methyl-
CAS Number:
14947-22-9
Molecular Formula:
C8H12
Molecular Weight:
108.1809
IUPAC Name:
1-methylcyclohepta-1,3-diene
InChI:
InChI=1S/C8H12/c1-8-6-4-2-3-5-7-8/h2,4,6H,3,5,7H2,1H3
InChI Key:
JBHANEICNSHPTD-UHFFFAOYSA-N
SMILES:
CC1=CC=CCCC1
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:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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