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13632-93-4 | Benzene, 1,2-diethyl-3-methyl-
CAS No: 13632-93-4 Catalog No: AG0011NI MDL No:
Product Description
Catalog Number:
AG0011NI
Chemical Name:
Benzene, 1,2-diethyl-3-methyl-
CAS Number:
13632-93-4
Molecular Formula:
C11H16
Molecular Weight:
148.2447
IUPAC Name:
1,2-diethyl-3-methylbenzene
InChI:
InChI=1S/C11H16/c1-4-10-8-6-7-9(3)11(10)5-2/h6-8H,4-5H2,1-3H3
InChI Key:
LRJOXARIJKBUFE-UHFFFAOYSA-N
SMILES:
CCc1c(CC)cccc1C
UNII:
F77THC362Q
Properties
Complexity:
107
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:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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