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127921-76-0 | 2-Propenal, 3-(4-acetylphenyl)-, (2E)-
CAS No: 127921-76-0 Catalog No: AG000XKG MDL No:
Product Description
Catalog Number:
AG000XKG
Chemical Name:
2-Propenal, 3-(4-acetylphenyl)-, (2E)-
CAS Number:
127921-76-0
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
IUPAC Name:
3-(4-acetylphenyl)prop-2-enal
InChI:
InChI=1S/C11H10O2/c1-9(13)11-6-4-10(5-7-11)3-2-8-12/h2-8H,1H3
InChI Key:
JEFBKKUCSOURMN-UHFFFAOYSA-N
SMILES:
O=C/C=C/c1ccc(cc1)C(=O)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.199g/mol
Monoisotopic Mass:
174.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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