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114076-14-1 | 2-Phenazinebutanoic acid, 9-hydroxy-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 114076-14-1 Catalog No: AG000AHM MDL No:
Product Description
Catalog Number:
AG000AHM
Chemical Name:
2-Phenazinebutanoic acid, 9-hydroxy-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
114076-14-1
Molecular Formula:
C20H17N3O5
Molecular Weight:
379.3661
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 4-(9-hydroxyphenazin-2-yl)butanoate
InChI:
InChI=1S/C20H17N3O5/c24-16-5-2-4-14-20(16)22-15-11-12(7-8-13(15)21-14)3-1-6-19(27)28-23-17(25)9-10-18(23)26/h2,4-5,7-8,11,24H,1,3,6,9-10H2
InChI Key:
KHTBIPYKTVNXNP-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)CCCc1ccc2c(c1)nc1c(n2)cccc1O
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.117g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.372g/mol
Monoisotopic Mass:
379.117g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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