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851680-83-6 | 1,5-Azulenedione, 3-[(4-methoxyphenyl)amino]-
CAS No: 851680-83-6 Catalog No: AG004MX9 MDL No:
Product Description
Catalog Number:
AG004MX9
Chemical Name:
1,5-Azulenedione, 3-[(4-methoxyphenyl)amino]-
CAS Number:
851680-83-6
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
IUPAC Name:
3-(4-methoxyanilino)azulene-1,5-dione
InChI:
InChI=1S/C17H13NO3/c1-21-13-7-5-11(6-8-13)18-16-10-17(20)14-4-2-3-12(19)9-15(14)16/h2-10,18H,1H3
InChI Key:
RKTHFTSIZPAEDY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC1=CC(=O)c2c1cc(=O)ccc2
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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