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88174-32-7 | Benzaldehyde, 3-ethyl-2,4,5,6-tetramethyl-
CAS No: 88174-32-7 Catalog No: AG004DSO MDL No:
Product Description
Catalog Number:
AG004DSO
Chemical Name:
Benzaldehyde, 3-ethyl-2,4,5,6-tetramethyl-
CAS Number:
88174-32-7
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
3-ethyl-2,4,5,6-tetramethylbenzaldehyde
InChI:
InChI=1S/C13H18O/c1-6-12-9(3)8(2)10(4)13(7-14)11(12)5/h7H,6H2,1-5H3
InChI Key:
DKNOMAQECBNKNP-UHFFFAOYSA-N
SMILES:
CCc1c(C)c(C=O)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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