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88174-29-2 | Benzaldehyde, 6-ethyl-2,3,4-trimethyl-
CAS No: 88174-29-2 Catalog No: AG004FIZ MDL No:
Product Description
Catalog Number:
AG004FIZ
Chemical Name:
Benzaldehyde, 6-ethyl-2,3,4-trimethyl-
CAS Number:
88174-29-2
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
6-ethyl-2,3,4-trimethylbenzaldehyde
InChI:
InChI=1S/C12H16O/c1-5-11-6-8(2)9(3)10(4)12(11)7-13/h6-7H,5H2,1-4H3
InChI Key:
DCQRTBXCPQQQFU-UHFFFAOYSA-N
SMILES:
CCc1cc(C)c(c(c1C=O)C)C
Properties
Complexity:
176
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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