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1678-97-3 | Cyclohexane, 1,2,3-trimethyl-
CAS No: 1678-97-3 Catalog No: AG001XMA MDL No:MFCD00045496
Product Description
Catalog Number:
AG001XMA
Chemical Name:
Cyclohexane, 1,2,3-trimethyl-
CAS Number:
1678-97-3
Molecular Formula:
C9H18
Molecular Weight:
126.2392
MDL Number:
MFCD00045496
IUPAC Name:
1,2,3-trimethylcyclohexane
InChI:
InChI=1S/C9H18/c1-7-5-4-6-8(2)9(7)3/h7-9H,4-6H2,1-3H3
InChI Key:
DQTVJLHNWPRPPH-UHFFFAOYSA-N
SMILES:
CC1C(C)CCCC1C
EC Number:
216-838-7
Properties
Complexity:
76
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.141g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.243g/mol
Monoisotopic Mass:
126.141g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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