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114916-19-7 | 2-Propenoic acid, 3-phenoxy-
CAS No: 114916-19-7 Catalog No: AG000FFN MDL No:
Product Description
Catalog Number:
AG000FFN
Chemical Name:
2-Propenoic acid, 3-phenoxy-
CAS Number:
114916-19-7
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
IUPAC Name:
3-phenoxyprop-2-enoic acid
InChI:
InChI=1S/C9H8O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-7H,(H,10,11)
InChI Key:
RYQWTNSICNJGCJ-UHFFFAOYSA-N
SMILES:
OC(=O)C=COc1ccccc1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| 8-Eth-oxy-3-(4-isopropyl-benzyl-idene)-6-methyl-chroman-4-one. | Acta crystallographica. Section E, Structure reports online 20080101 |
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