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Home > Aldehydes > 847230-94-8
847230-94-8 | 1H-Indole-3-carboxaldehyde, 1-(4-hydroxyphenyl)-2-methyl-, oxime
CAS No: 847230-94-8 Catalog No: AG008GQ5 MDL No:
Product Description
Catalog Number:
AG008GQ5
Chemical Name:
1H-Indole-3-carboxaldehyde, 1-(4-hydroxyphenyl)-2-methyl-, oxime
CAS Number:
847230-94-8
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
IUPAC Name:
4-[3-(hydroxyiminomethyl)-2-methylindol-1-yl]phenol
InChI:
InChI=1S/C16H14N2O2/c1-11-15(10-17-20)14-4-2-3-5-16(14)18(11)12-6-8-13(19)9-7-12/h2-10,19-20H,1H3
InChI Key:
PQIQARAJQAUHED-UHFFFAOYSA-N
SMILES:
ON=Cc1c(C)n(c2c1cccc2)c1ccc(cc1)O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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