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88174-31-6 | Benzaldehyde, 2-ethyl-3,4,5,6-tetramethyl-
CAS No: 88174-31-6 Catalog No: AG004DSP MDL No:
Product Description
Catalog Number:
AG004DSP
Chemical Name:
Benzaldehyde, 2-ethyl-3,4,5,6-tetramethyl-
CAS Number:
88174-31-6
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
2-ethyl-3,4,5,6-tetramethylbenzaldehyde
InChI:
InChI=1S/C13H18O/c1-6-12-10(4)8(2)9(3)11(5)13(12)7-14/h7H,6H2,1-5H3
InChI Key:
KBNHZJLHQQCOAW-UHFFFAOYSA-N
SMILES:
CCc1c(C=O)c(C)c(c(c1C)C)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.286g/mol
Monoisotopic Mass:
190.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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