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101663-60-9 | 1,4-Naphthalenedione, 6-(butylamino)-2,3-dihydro-5,8-dihydroxy-
CAS No: 101663-60-9 Catalog No: AG000549 MDL No:
Product Description
Catalog Number:
AG000549
Chemical Name:
1,4-Naphthalenedione, 6-(butylamino)-2,3-dihydro-5,8-dihydroxy-
CAS Number:
101663-60-9
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
IUPAC Name:
6-(butylamino)-5,8-dihydroxy-2,3-dihydronaphthalene-1,4-dione
InChI:
InChI=1S/C14H17NO4/c1-2-3-6-15-8-7-11(18)12-9(16)4-5-10(17)13(12)14(8)19/h7,15,18-19H,2-6H2,1H3
InChI Key:
XVOWBFCPVRPKBK-UHFFFAOYSA-N
SMILES:
CCCCNc1cc(O)c2c(c1O)C(=O)CCC2=O
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
263.293g/mol
Monoisotopic Mass:
263.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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