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114479-07-1 | 1,4-Naphthalenedione, 2-amino-3-(4-methylphenyl)-
CAS No: 114479-07-1 Catalog No: AG000EIE MDL No:
Product Description
Catalog Number:
AG000EIE
Chemical Name:
1,4-Naphthalenedione, 2-amino-3-(4-methylphenyl)-
CAS Number:
114479-07-1
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
2-amino-3-(4-methylphenyl)naphthalene-1,4-dione
InChI:
InChI=1S/C17H13NO2/c1-10-6-8-11(9-7-10)14-15(18)17(20)13-5-3-2-4-12(13)16(14)19/h2-9H,18H2,1H3
InChI Key:
PIPHLOJSJHGGRC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1=C(N)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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