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87544-89-6 | 2-(2-hydroxyethyl)-1H,2H,3H-pyrrolo[3,4-c]pyridine-1,3-dione
CAS No: 87544-89-6 Catalog No: AG019QUK MDL No:MFCD18326928
Product Description
Catalog Number:
AG019QUK
Chemical Name:
2-(2-hydroxyethyl)-1H,2H,3H-pyrrolo[3,4-c]pyridine-1,3-dione
CAS Number:
87544-89-6
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD18326928
IUPAC Name:
2-(2-hydroxyethyl)pyrrolo[3,4-c]pyridine-1,3-dione
InChI:
InChI=1S/C9H8N2O3/c12-4-3-11-8(13)6-1-2-10-5-7(6)9(11)14/h1-2,5,12H,3-4H2
InChI Key:
ITFZLVNLVANCEJ-UHFFFAOYSA-N
SMILES:
OCCN1C(=O)c2c(C1=O)cncc2
NSC Number:
374808
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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