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88339-44-0 | Benzaldehyde, 3-acetyl-5-ethyl-2,4,6-trimethyl-
CAS No: 88339-44-0 Catalog No: AG0046PF MDL No:
Product Description
Catalog Number:
AG0046PF
Chemical Name:
Benzaldehyde, 3-acetyl-5-ethyl-2,4,6-trimethyl-
CAS Number:
88339-44-0
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
3-acetyl-5-ethyl-2,4,6-trimethylbenzaldehyde
InChI:
InChI=1S/C14H18O2/c1-6-12-8(2)13(7-15)10(4)14(9(12)3)11(5)16/h7H,6H2,1-5H3
InChI Key:
SHILKZYUHOEHSB-UHFFFAOYSA-N
SMILES:
CCc1c(C)c(C=O)c(c(c1C)C(=O)C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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