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68075-69-4 | Benzaldehyde, 4-(decyloxy)-2-hydroxy-
CAS No: 68075-69-4 Catalog No: AG0060S9 MDL No:
Product Description
Catalog Number:
AG0060S9
Chemical Name:
Benzaldehyde, 4-(decyloxy)-2-hydroxy-
CAS Number:
68075-69-4
Molecular Formula:
C17H26O3
Molecular Weight:
278.3865
IUPAC Name:
4-decoxy-2-hydroxybenzaldehyde
InChI:
InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-12-20-16-11-10-15(14-18)17(19)13-16/h10-11,13-14,19H,2-9,12H2,1H3
InChI Key:
QGTMGMLIAOWQLL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(c(c1)O)C=O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.188g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.392g/mol
Monoisotopic Mass:
278.188g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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