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17851-27-3 | Benzene, 1-ethyl-2,4,5-trimethyl-
CAS No: 17851-27-3 Catalog No: AG002659 MDL No:
Product Description
Catalog Number:
AG002659
Chemical Name:
Benzene, 1-ethyl-2,4,5-trimethyl-
CAS Number:
17851-27-3
Molecular Formula:
C11H16
Molecular Weight:
148.2447
IUPAC Name:
1-ethyl-2,4,5-trimethylbenzene
InChI:
InChI=1S/C11H16/c1-5-11-7-9(3)8(2)6-10(11)4/h6-7H,5H2,1-4H3
InChI Key:
IYFUQKGDILUVJG-UHFFFAOYSA-N
SMILES:
CCc1cc(C)c(cc1C)C
Properties
Complexity:
117
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:
3.8
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