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Home > Aldehydes > 144615-41-8
144615-41-8 | Benzaldehyde, 2-hydroxy-5-(tetrahydro-4-methoxy-2H-pyran-4-yl)-
CAS No: 144615-41-8 Catalog No: AG001JUU MDL No:
Product Description
Catalog Number:
AG001JUU
Chemical Name:
Benzaldehyde, 2-hydroxy-5-(tetrahydro-4-methoxy-2H-pyran-4-yl)-
CAS Number:
144615-41-8
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
2-hydroxy-5-(4-methoxyoxan-4-yl)benzaldehyde
InChI:
InChI=1S/C13H16O4/c1-16-13(4-6-17-7-5-13)11-2-3-12(15)10(8-11)9-14/h2-3,8-9,15H,4-7H2,1H3
InChI Key:
JNCFEFXIEJWTQR-UHFFFAOYSA-N
SMILES:
COC1(CCOCC1)c1ccc(c(c1)C=O)O
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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