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3073-66-3 | Cyclohexane, 1,1,3-trimethyl-
CAS No: 3073-66-3 Catalog No: AG00312G MDL No:MFCD00039462
Product Description
Catalog Number:
AG00312G
Chemical Name:
Cyclohexane, 1,1,3-trimethyl-
CAS Number:
3073-66-3
Molecular Formula:
C9H18
Molecular Weight:
126.2392
MDL Number:
MFCD00039462
IUPAC Name:
1,1,3-trimethylcyclohexane
InChI:
InChI=1S/C9H18/c1-8-5-4-6-9(2,3)7-8/h8H,4-7H2,1-3H3
InChI Key:
PYOLJOJPIPCRDP-UHFFFAOYSA-N
SMILES:
CC1CCCC(C1)(C)C
EC Number:
221-347-6
UNII:
L13QEP2K04
NSC Number:
73965
Properties
Complexity:
92.2
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Lactones 35 [1]. Metabolism of iodolactones with cyclohexane ring in Absidia cylindrospora culture. | Enzyme and microbial technology 20110407 |
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