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89444-86-0 | 2-Butanone, 1-[2-methoxy-5-(methylamino)phenyl]-
CAS No: 89444-86-0 Catalog No: AG00436Z MDL No:
Product Description
Catalog Number:
AG00436Z
Chemical Name:
2-Butanone, 1-[2-methoxy-5-(methylamino)phenyl]-
CAS Number:
89444-86-0
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
1-[2-methoxy-5-(methylamino)phenyl]butan-2-one
InChI:
InChI=1S/C12H17NO2/c1-4-11(14)8-9-7-10(13-2)5-6-12(9)15-3/h5-7,13H,4,8H2,1-3H3
InChI Key:
XNWVIWWEONJZLE-UHFFFAOYSA-N
SMILES:
CCC(=O)Cc1cc(NC)ccc1OC
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:
1
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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