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2049-94-7 | Benzene, (3-methylbutyl)-
CAS No: 2049-94-7 Catalog No: AG0029QX MDL No:MFCD00008948
Product Description
Catalog Number:
AG0029QX
Chemical Name:
Benzene, (3-methylbutyl)-
CAS Number:
2049-94-7
Molecular Formula:
C11H16
Molecular Weight:
148.2447
MDL Number:
MFCD00008948
IUPAC Name:
3-methylbutylbenzene
InChI:
InChI=1S/C11H16/c1-10(2)8-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChI Key:
XNXIYYFOYIUJIW-UHFFFAOYSA-N
SMILES:
CC(CCc1ccccc1)C
EC Number:
218-075-5
NSC Number:
62142
Properties
Complexity:
88.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.125g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.249g/mol
Monoisotopic Mass:
148.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Degradation of brominated flame retardant in computer housing plastic by supercritical fluids. | Journal of hazardous materials 20120227 |
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