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85604-67-7 | Benzaldehyde, 2-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS No: 85604-67-7 Catalog No: AG008HAJ MDL No:
Product Description
Catalog Number:
AG008HAJ
Chemical Name:
Benzaldehyde, 2-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS Number:
85604-67-7
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
2-(oxan-2-yloxy)benzaldehyde
InChI:
InChI=1S/C12H14O3/c13-9-10-5-1-2-6-11(10)15-12-7-3-4-8-14-12/h1-2,5-6,9,12H,3-4,7-8H2
InChI Key:
LNGKTZCFGWVVOV-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1OC1CCCCO1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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