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155338-39-9 | 3-Cyclobutene-1,2-dione, 3-hydroxy-4-[(2-hydroxyphenyl)amino]-
CAS No: 155338-39-9 Catalog No: AG001NUI MDL No:
Product Description
Catalog Number:
AG001NUI
Chemical Name:
3-Cyclobutene-1,2-dione, 3-hydroxy-4-[(2-hydroxyphenyl)amino]-
CAS Number:
155338-39-9
Molecular Formula:
C10H7NO4
Molecular Weight:
205.1669
IUPAC Name:
3-hydroxy-4-(2-hydroxyanilino)cyclobut-3-ene-1,2-dione
InChI:
InChI=1S/C10H7NO4/c12-6-4-2-1-3-5(6)11-7-8(13)10(15)9(7)14/h1-4,11-13H
InChI Key:
IHPXOPCECANAPM-UHFFFAOYSA-N
SMILES:
O=C1C(=C(C1=O)Nc1ccccc1O)O
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.169g/mol
Monoisotopic Mass:
205.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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