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72041-59-9 | 2-Hydroxy-4-((tetrahydro-2H-pyran-2-yl)oxy)benzaldehyde
CAS No: 72041-59-9 Catalog No: AG005DK6 MDL No:MFCD02181129
Product Description
Catalog Number:
AG005DK6
Chemical Name:
2-Hydroxy-4-((tetrahydro-2H-pyran-2-yl)oxy)benzaldehyde
CAS Number:
72041-59-9
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD02181129
IUPAC Name:
2-hydroxy-4-(oxan-2-yloxy)benzaldehyde
InChI:
InChI=1S/C12H14O4/c13-8-9-4-5-10(7-11(9)14)16-12-3-1-2-6-15-12/h4-5,7-8,12,14H,1-3,6H2
InChI Key:
NDAHKJIBTIDZIO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1O)OC1CCCCO1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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