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88235-14-7 | 1-Hexen-3-one, 1-[(2-hydroxyphenyl)amino]-5-methyl-
CAS No: 88235-14-7 Catalog No: AG004CX1 MDL No:
Product Description
Catalog Number:
AG004CX1
Chemical Name:
1-Hexen-3-one, 1-[(2-hydroxyphenyl)amino]-5-methyl-
CAS Number:
88235-14-7
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
1-(2-hydroxyanilino)-5-methylhex-1-en-3-one
InChI:
InChI=1S/C13H17NO2/c1-10(2)9-11(15)7-8-14-12-5-3-4-6-13(12)16/h3-8,10,14,16H,9H2,1-2H3
InChI Key:
SMTBHNCRVVLMRJ-UHFFFAOYSA-N
SMILES:
CC(CC(=O)C=CNc1ccccc1O)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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