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141812-70-6 | 2,4-Hexadienal, 6-hydroxy-, (2E,4E)-
CAS No: 141812-70-6 Catalog No: AG001H8F MDL No:
Product Description
Catalog Number:
AG001H8F
Chemical Name:
2,4-Hexadienal, 6-hydroxy-, (2E,4E)-
CAS Number:
141812-70-6
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
6-hydroxyhexa-2,4-dienal
InChI:
InChI=1S/C6H8O2/c7-5-3-1-2-4-6-8/h1-5,8H,6H2
InChI Key:
PCYZGEHNECVSCF-UHFFFAOYSA-N
SMILES:
OC/C=C/C=C/C=O
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| The fate of benzene-oxide. | Chemico-biological interactions 20100319 |
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