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Home > Aldehydes > 163164-46-3
163164-46-3 | Benzaldehyde, 4-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]-
CAS No: 163164-46-3 Catalog No: AG001TUB MDL No:MFCD23135640
Product Description
Catalog Number:
AG001TUB
Chemical Name:
Benzaldehyde, 4-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]-
CAS Number:
163164-46-3
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
MDL Number:
MFCD23135640
IUPAC Name:
4-[2-(oxan-2-yloxy)ethyl]benzaldehyde
InChI:
InChI=1S/C14H18O3/c15-11-13-6-4-12(5-7-13)8-10-17-14-3-1-2-9-16-14/h4-7,11,14H,1-3,8-10H2
InChI Key:
KURVTAWKMHFPFL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)CCOC1CCCCO1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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