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Home > Aldehydes > 158360-01-1
158360-01-1 | 2-Furancarboxaldehyde, 4-(hydroxymethyl)-
CAS No: 158360-01-1 Catalog No: AG001Q5P MDL No:MFCD14584441
Product Description
Catalog Number:
AG001Q5P
Chemical Name:
2-Furancarboxaldehyde, 4-(hydroxymethyl)-
CAS Number:
158360-01-1
Molecular Formula:
C6H6O3
Molecular Weight:
126.1100
MDL Number:
MFCD14584441
IUPAC Name:
4-(hydroxymethyl)furan-2-carbaldehyde
InChI:
InChI=1S/C6H6O3/c7-2-5-1-6(3-8)9-4-5/h1,3-4,7H,2H2
InChI Key:
GYQBROOJXNICMZ-UHFFFAOYSA-N
SMILES:
OCc1coc(c1)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:
126.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.111g/mol
Monoisotopic Mass:
126.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| [Studies on chemical constituents in root of Phlomis medicinalis I]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20060401 |
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