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23359-08-2 | 2-Propenoic acid, 3-(4-formylphenyl)-
CAS No: 23359-08-2 Catalog No: AG002MZ9 MDL No:MFCD00006955
Product Description
Catalog Number:
AG002MZ9
Chemical Name:
2-Propenoic acid, 3-(4-formylphenyl)-
CAS Number:
23359-08-2
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD00006955
IUPAC Name:
(E)-3-(4-formylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H8O3/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-7H,(H,12,13)/b6-5+
InChI Key:
LBOUHDMYVURTMA-AATRIKPKSA-N
SMILES:
O=Cc1ccc(cc1)C=CC(=O)O
EC Number:
245-608-9
NSC Number:
74480
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| First investigations of the kinetics of the topochemical reaction of p-formyl-trans-cinnamic acid by time-resolved X-ray diffraction. | Faraday discussions 20030101 |
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