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99948-47-7 | 2-[[(TETRAHYDROPYRAN-2-YL)OXY]METHYL]BENZALDEHYDE
CAS No: 99948-47-7 Catalog No: AG003G8C MDL No:MFCD26523290
Product Description
Catalog Number:
AG003G8C
Chemical Name:
2-[[(TETRAHYDROPYRAN-2-YL)OXY]METHYL]BENZALDEHYDE
CAS Number:
99948-47-7
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD26523290
IUPAC Name:
2-(oxan-2-yloxymethyl)benzaldehyde
InChI:
InChI=1S/C13H16O3/c14-9-11-5-1-2-6-12(11)10-16-13-7-3-4-8-15-13/h1-2,5-6,9,13H,3-4,7-8,10H2
InChI Key:
FEGNADMYWSPCJP-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1COC1CCCCO1
Properties
Complexity:
217
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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