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88174-25-8 | Benzaldehyde, 3-butyl-2,4,6-trimethyl-
CAS No: 88174-25-8 Catalog No: AG004DSR MDL No:
Product Description
Catalog Number:
AG004DSR
Chemical Name:
Benzaldehyde, 3-butyl-2,4,6-trimethyl-
CAS Number:
88174-25-8
Molecular Formula:
C14H20O
Molecular Weight:
204.3080
IUPAC Name:
3-butyl-2,4,6-trimethylbenzaldehyde
InChI:
InChI=1S/C14H20O/c1-5-6-7-13-10(2)8-11(3)14(9-15)12(13)4/h8-9H,5-7H2,1-4H3
InChI Key:
AWAPLYVYRWDVLL-UHFFFAOYSA-N
SMILES:
CCCCc1c(C)cc(c(c1C)C=O)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.151g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.313g/mol
Monoisotopic Mass:
204.151g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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