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88070-29-5 | 1,3-Cycloheptadiene, 1,5,5-trimethyl-
CAS No: 88070-29-5 Catalog No: AG004HWN MDL No:
Product Description
Catalog Number:
AG004HWN
Chemical Name:
1,3-Cycloheptadiene, 1,5,5-trimethyl-
CAS Number:
88070-29-5
Molecular Formula:
C10H16
Molecular Weight:
136.2340
IUPAC Name:
1,5,5-trimethylcyclohepta-1,3-diene
InChI:
InChI=1S/C10H16/c1-9-5-4-7-10(2,3)8-6-9/h4-5,7H,6,8H2,1-3H3
InChI Key:
ZEIJNNOODJKIOD-UHFFFAOYSA-N
SMILES:
CC1=CC=CC(CC1)(C)C
Properties
Complexity:
171
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:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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