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86734-60-3 | Benzaldehyde, 3-hydroxy-2-(phenylmethoxy)-
CAS No: 86734-60-3 Catalog No: AG004NBH MDL No:
Product Description
Catalog Number:
AG004NBH
Chemical Name:
Benzaldehyde, 3-hydroxy-2-(phenylmethoxy)-
CAS Number:
86734-60-3
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
IUPAC Name:
3-hydroxy-2-phenylmethoxybenzaldehyde
InChI:
InChI=1S/C14H12O3/c15-9-12-7-4-8-13(16)14(12)17-10-11-5-2-1-3-6-11/h1-9,16H,10H2
InChI Key:
CCHSJXWROPKNDR-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1OCc1ccccc1)O
Properties
Complexity:
236
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:
1
Isotope Atom Count:
0
Molecular Weight:
228.247g/mol
Monoisotopic Mass:
228.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Antitubercular dihydroagarofuranoid sesquiterpenes from the roots of Microtropis fokienensis. | Journal of natural products 20070201 |
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