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Home > Aldehydes > 1086378-78-0
1086378-78-0 | 3-(Tetrahydro-2H-pyran-4-ylmethoxy)benzaldehyde
CAS No: 1086378-78-0 Catalog No: AG01F9PL MDL No:
Product Description
Catalog Number:
AG01F9PL
Chemical Name:
3-(Tetrahydro-2H-pyran-4-ylmethoxy)benzaldehyde
CAS Number:
1086378-78-0
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
3-(oxan-4-ylmethoxy)benzaldehyde
InChI:
InChI=1S/C13H16O3/c14-9-12-2-1-3-13(8-12)16-10-11-4-6-15-7-5-11/h1-3,8-9,11H,4-7,10H2
InChI Key:
BUKSSOFBDFSRKX-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)OCC1CCOCC1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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