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88339-46-2 | Benzaldehyde, 3-acetyl-2,4,5,6-tetramethyl-
CAS No: 88339-46-2 Catalog No: AG0046PE MDL No:
Product Description
Catalog Number:
AG0046PE
Chemical Name:
Benzaldehyde, 3-acetyl-2,4,5,6-tetramethyl-
CAS Number:
88339-46-2
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
3-acetyl-2,4,5,6-tetramethylbenzaldehyde
InChI:
InChI=1S/C13H16O2/c1-7-8(2)12(6-14)10(4)13(9(7)3)11(5)15/h6H,1-5H3
InChI Key:
AYZGCDUNIOLARF-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)c(C(=O)C)c(c(c1C)C)C
Properties
Complexity:
259
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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