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885280-46-6 | 1-(5-(Butylamino)-2-hydroxyphenyl)ethanone
CAS No: 885280-46-6 Catalog No: AG0047AA MDL No:MFCD06658534
Product Description
Catalog Number:
AG0047AA
Chemical Name:
1-(5-(Butylamino)-2-hydroxyphenyl)ethanone
CAS Number:
885280-46-6
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD06658534
IUPAC Name:
1-[5-(butylamino)-2-hydroxyphenyl]ethanone
InChI:
InChI=1S/C12H17NO2/c1-3-4-7-13-10-5-6-12(15)11(8-10)9(2)14/h5-6,8,13,15H,3-4,7H2,1-2H3
InChI Key:
BKGANAFEDBCHTO-UHFFFAOYSA-N
SMILES:
CCCCNc1ccc(c(c1)C(=O)C)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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