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1558-52-7 | Pentanal, 5-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-
CAS No: 1558-52-7 Catalog No: AG001O7O MDL No:
Product Description
Catalog Number:
AG001O7O
Chemical Name:
Pentanal, 5-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-
CAS Number:
1558-52-7
Molecular Formula:
C19H17NO3
Molecular Weight:
307.3432
IUPAC Name:
5-[(9,10-dioxoanthracen-1-yl)amino]pentanal
InChI:
InChI=1S/C19H17NO3/c21-12-5-1-4-11-20-16-10-6-9-15-17(16)19(23)14-8-3-2-7-13(14)18(15)22/h2-3,6-10,12,20H,1,4-5,11H2
InChI Key:
OGLDMHHIXJSKFK-UHFFFAOYSA-N
SMILES:
O=CCCCCNc1cccc2c1C(=O)c1ccccc1C2=O
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.349g/mol
Monoisotopic Mass:
307.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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