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Home > Aldehydes > 1256477-12-9
1256477-12-9 | Benzeneacetaldehyde, 2,3,4,5,6-pentamethyl-
CAS No: 1256477-12-9 Catalog No: AG000O91 MDL No:
Product Description
Catalog Number:
AG000O91
Chemical Name:
Benzeneacetaldehyde, 2,3,4,5,6-pentamethyl-
CAS Number:
1256477-12-9
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
2-(2,3,4,5,6-pentamethylphenyl)acetaldehyde
InChI:
InChI=1S/C13H18O/c1-8-9(2)11(4)13(6-7-14)12(5)10(8)3/h7H,6H2,1-5H3
InChI Key:
FOANKKYRYOCRKV-UHFFFAOYSA-N
SMILES:
O=CCc1c(C)c(C)c(c(c1C)C)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.286g/mol
Monoisotopic Mass:
190.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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