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1260762-87-5 | Ethanone, 1-(4-amino-5-methoxy-2-methylphenyl)-
CAS No: 1260762-87-5 Catalog No: AG000R69 MDL No:
Product Description
Catalog Number:
AG000R69
Chemical Name:
Ethanone, 1-(4-amino-5-methoxy-2-methylphenyl)-
CAS Number:
1260762-87-5
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
1-(4-amino-5-methoxy-2-methylphenyl)ethanone
InChI:
InChI=1S/C10H13NO2/c1-6-4-9(11)10(13-3)5-8(6)7(2)12/h4-5H,11H2,1-3H3
InChI Key:
QRONBWWVCLCIGJ-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)C)c(cc1N)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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