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Home Aldehydes Pentamethylbenzaldehyde

Pentamethylbenzaldehyde

CAS No.:
17432-38-1
Catalog Number:
AG001ZMB
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$63
- +
5g
96%
In Stock USA
United States
$182
- +
Product Description
Catalog Number:
AG001ZMB
Chemical Name:
Pentamethylbenzaldehyde
CAS Number:
17432-38-1
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD00015560
IUPAC Name:
2,3,4,5,6-pentamethylbenzaldehyde
InChI:
InChI=1S/C12H16O/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h6H,1-5H3
InChI Key:
RWOZGGOKRKSHKN-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)c(C)c(c(c1C)C)C
NSC Number:
98375
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Substituent electronic effects on the persistence and absorption spectra of (Z)-o-xylylenols. A nanosecond laser flash photolysis study. The Journal of organic chemistry 20050902
Properties