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116373-36-5 | 2-Propenoic acid, 3-[4-(1-methylethyl)phenyl]-, (2E)-
CAS No: 116373-36-5 Catalog No: AG000CCO MDL No:MFCD00016544
Product Description
Catalog Number:
AG000CCO
Chemical Name:
2-Propenoic acid, 3-[4-(1-methylethyl)phenyl]-, (2E)-
CAS Number:
116373-36-5
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD00016544
IUPAC Name:
3-(4-propan-2-ylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C12H14O2/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14/h3-9H,1-2H3,(H,13,14)
InChI Key:
SJDOOXOUSJDYFE-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)/C=C/C(=O)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:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Syntheses and biological activities of pyranyl-substituted cinnamates. | Bioscience, biotechnology, and biochemistry 20010101 |
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