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Home > Aldehydes > 906795-82-2
906795-82-2 | Benzaldehyde, 2-hydroxy-5-[(4-hydroxyphenyl)methyl]-
CAS No: 906795-82-2 Catalog No: AG006BON MDL No:
Product Description
Catalog Number:
AG006BON
Chemical Name:
Benzaldehyde, 2-hydroxy-5-[(4-hydroxyphenyl)methyl]-
CAS Number:
906795-82-2
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
IUPAC Name:
2-hydroxy-5-[(4-hydroxyphenyl)methyl]benzaldehyde
InChI:
InChI=1S/C14H12O3/c15-9-12-8-11(3-6-14(12)17)7-10-1-4-13(16)5-2-10/h1-6,8-9,16-17H,7H2
InChI Key:
OOIJRRBPTUCNMW-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1O)Cc1ccc(cc1)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.247g/mol
Monoisotopic Mass:
228.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Antitubercular dihydroagarofuranoid sesquiterpenes from the roots of Microtropis fokienensis. | Journal of natural products 20070201 |
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