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104175-15-7 | 3-(4-ETHYL-PHENYL)-PROPIONALDEHYDE
CAS No: 104175-15-7 Catalog No: AG008XH4 MDL No:MFCD09028621
Product Description
Catalog Number:
AG008XH4
Chemical Name:
3-(4-ETHYL-PHENYL)-PROPIONALDEHYDE
CAS Number:
104175-15-7
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD09028621
IUPAC Name:
3-(4-ethylphenyl)propanal
InChI:
InChI=1S/C11H14O/c1-2-10-5-7-11(8-6-10)4-3-9-12/h5-9H,2-4H2,1H3
InChI Key:
PKMBYEGYTBWRIO-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)CCC=O
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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