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131534-70-8 | 2-Propenal, 3-(2,4,6-trimethylphenyl)-, (2E)-
CAS No: 131534-70-8 Catalog No: AG000ZDL MDL No:MFCD07438045
Product Description
Catalog Number:
AG000ZDL
Chemical Name:
2-Propenal, 3-(2,4,6-trimethylphenyl)-, (2E)-
CAS Number:
131534-70-8
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
MDL Number:
MFCD07438045
IUPAC Name:
3-(2,4,6-trimethylphenyl)prop-2-enal
InChI:
InChI=1S/C12H14O/c1-9-7-10(2)12(5-4-6-13)11(3)8-9/h4-8H,1-3H3
InChI Key:
PBSWKUAPPIGTBQ-UHFFFAOYSA-N
SMILES:
O=C/C=C/c1c(C)cc(cc1C)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:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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