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88339-43-9 | Benzaldehyde, 3-acetyl-2,4,6-trimethyl-
CAS No: 88339-43-9 Catalog No: AG0046WM MDL No:MFCD00194531
Product Description
Catalog Number:
AG0046WM
Chemical Name:
Benzaldehyde, 3-acetyl-2,4,6-trimethyl-
CAS Number:
88339-43-9
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD00194531
IUPAC Name:
3-acetyl-2,4,6-trimethylbenzaldehyde
InChI:
InChI=1S/C12H14O2/c1-7-5-8(2)12(10(4)14)9(3)11(7)6-13/h5-6H,1-4H3
InChI Key:
OHFVIORELMJQOG-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)cc(c(c1C)C(=O)C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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