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1075-38-3 | 1-(tert-Butyl);-3-methylbenzene
CAS No: 1075-38-3 Catalog No: AG003JWS MDL No:MFCD00059210
Product Description
Catalog Number:
AG003JWS
Chemical Name:
1-(tert-Butyl);-3-methylbenzene
CAS Number:
1075-38-3
Molecular Formula:
C11H16
Molecular Weight:
148.2447
MDL Number:
MFCD00059210
IUPAC Name:
1-tert-butyl-3-methylbenzene
InChI:
InChI=1S/C11H16/c1-9-6-5-7-10(8-9)11(2,3)4/h5-8H,1-4H3
InChI Key:
JTIAYWZZZOZUTK-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(C)(C)C
NSC Number:
23700
Properties
Complexity:
119
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:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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