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84229-49-2 | 7-[2-HYDROXY-3-(PROPYLAMINO)PROPOXY]-2,3-DIHYDROCYCLOPENTA[C]CHROMEN-4(1H)-ONE
CAS No: 84229-49-2 Catalog No: AG004OCU MDL No:
Product Description
Catalog Number:
AG004OCU
Chemical Name:
7-[2-HYDROXY-3-(PROPYLAMINO)PROPOXY]-2,3-DIHYDROCYCLOPENTA[C]CHROMEN-4(1H)-ONE
CAS Number:
84229-49-2
Molecular Formula:
C18H23NO4
Molecular Weight:
317.3795
IUPAC Name:
7-[2-hydroxy-3-(propylamino)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
InChI:
InChI=1S/C18H23NO4/c1-2-8-19-10-12(20)11-22-13-6-7-15-14-4-3-5-16(14)18(21)23-17(15)9-13/h6-7,9,12,19-20H,2-5,8,10-11H2,1H3
InChI Key:
MDRIKKUAZCPOBY-UHFFFAOYSA-N
SMILES:
CCCNCC(COc1ccc2c(c1)oc(=O)c1c2CCC1)O
NSC Number:
378572
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.385g/mol
Monoisotopic Mass:
317.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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