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Home > Aldehydes > 165614-97-1
165614-97-1 | Benzaldehyde, 2-hydroxy-5-(octyloxy)-
CAS No: 165614-97-1 Catalog No: AG001W90 MDL No:
Product Description
Catalog Number:
AG001W90
Chemical Name:
Benzaldehyde, 2-hydroxy-5-(octyloxy)-
CAS Number:
165614-97-1
Molecular Formula:
C15H22O3
Molecular Weight:
250.3334
IUPAC Name:
2-hydroxy-5-octoxybenzaldehyde
InChI:
InChI=1S/C15H22O3/c1-2-3-4-5-6-7-10-18-14-8-9-15(17)13(11-14)12-16/h8-9,11-12,17H,2-7,10H2,1H3
InChI Key:
AWLMQMFQAIIAEF-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(c(c1)C=O)O
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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