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88339-45-1 | Benzaldehyde, 4-acetyl-2,3,5,6-tetramethyl-
CAS No: 88339-45-1 Catalog No: AG0089MZ MDL No:
Product Description
Catalog Number:
AG0089MZ
Chemical Name:
Benzaldehyde, 4-acetyl-2,3,5,6-tetramethyl-
CAS Number:
88339-45-1
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
4-acetyl-2,3,5,6-tetramethylbenzaldehyde
InChI:
InChI=1S/C13H16O2/c1-7-9(3)13(11(5)15)10(4)8(2)12(7)6-14/h6H,1-5H3
InChI Key:
ASFNDGWYQWFPLJ-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)c(C)c(c(c1C)C)C(=O)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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