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91471-08-8 | 3-METHOXY-4-[(TETRAHYDRO-2H-PYRAN-2-YL)OXY]BENZALDEHYDE
CAS No: 91471-08-8 Catalog No: AG006A9W MDL No:
Product Description
Catalog Number:
AG006A9W
Chemical Name:
3-METHOXY-4-[(TETRAHYDRO-2H-PYRAN-2-YL)OXY]BENZALDEHYDE
CAS Number:
91471-08-8
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
3-methoxy-4-(oxan-2-yloxy)benzaldehyde
InChI:
InChI=1S/C13H16O4/c1-15-12-8-10(9-14)5-6-11(12)17-13-4-2-3-7-16-13/h5-6,8-9,13H,2-4,7H2,1H3
InChI Key:
LLTXNXRCBBBYKB-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1OC1CCCCO1
EC Number:
293-838-3
Properties
Complexity:
244
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:
0
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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