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86456-18-0 | 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one
CAS No: 86456-18-0 Catalog No: AG004QUG MDL No:MFCD15832954
Product Description
Catalog Number:
AG004QUG
Chemical Name:
1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one
CAS Number:
86456-18-0
Molecular Formula:
C17H18N2O3
Molecular Weight:
298.3364
MDL Number:
MFCD15832954
IUPAC Name:
1-[2-(dimethylamino)ethylamino]-7-hydroxyxanthen-9-one
InChI:
InChI=1S/C17H18N2O3/c1-19(2)9-8-18-13-4-3-5-15-16(13)17(21)12-10-11(20)6-7-14(12)22-15/h3-7,10,18,20H,8-9H2,1-2H3
InChI Key:
GTDOTAYBRNQTSR-UHFFFAOYSA-N
SMILES:
CN(CCNc1cccc2c1c(=O)c1c(o2)ccc(c1)O)C
NSC Number:
354675
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.342g/mol
Monoisotopic Mass:
298.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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