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89027-80-5 | Benzaldehyde, 4-(hexyloxy)-2-hydroxy-
CAS No: 89027-80-5 Catalog No: AG0042QX MDL No:
Product Description
Catalog Number:
AG0042QX
Chemical Name:
Benzaldehyde, 4-(hexyloxy)-2-hydroxy-
CAS Number:
89027-80-5
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
4-hexoxy-2-hydroxybenzaldehyde
InChI:
InChI=1S/C13H18O3/c1-2-3-4-5-8-16-12-7-6-11(10-14)13(15)9-12/h6-7,9-10,15H,2-5,8H2,1H3
InChI Key:
SXGZIJOZHSTSAJ-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(c(c1)O)C=O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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