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15089-81-3 | Ethanone, 1-(2-amino-3,4-dimethylphenyl)-
CAS No: 15089-81-3 Catalog No: AG001MXS MDL No:MFCD11113375
Product Description
Catalog Number:
AG001MXS
Chemical Name:
Ethanone, 1-(2-amino-3,4-dimethylphenyl)-
CAS Number:
15089-81-3
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD11113375
IUPAC Name:
1-(2-amino-3,4-dimethylphenyl)ethanone
InChI:
InChI=1S/C10H13NO/c1-6-4-5-9(8(3)12)10(11)7(6)2/h4-5H,11H2,1-3H3
InChI Key:
RTRNHUHAYOMEAZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1N)C)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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