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1410922-80-3 | 1-Propanone, 1-(4-amino-3-methoxyphenyl)-
CAS No: 1410922-80-3 Catalog No: AG001FVL MDL No:
Product Description
Catalog Number:
AG001FVL
Chemical Name:
1-Propanone, 1-(4-amino-3-methoxyphenyl)-
CAS Number:
1410922-80-3
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
1-(4-amino-3-methoxyphenyl)propan-1-one
InChI:
InChI=1S/C10H13NO2/c1-3-9(12)7-4-5-8(11)10(6-7)13-2/h4-6H,3,11H2,1-2H3
InChI Key:
JLAFECPKVPEMGF-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(c(c1)OC)N
Properties
Complexity:
182
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:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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