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687572-56-1 | 2-(2-hydroxyethyl)-4-methyl-1H-pyrrolo[3,4-c]quinoline-1,3(2H)-dione
CAS No: 687572-56-1 Catalog No: AG00J81S MDL No:MFCD03829205
Product Description
Catalog Number:
AG00J81S
Chemical Name:
2-(2-hydroxyethyl)-4-methyl-1H-pyrrolo[3,4-c]quinoline-1,3(2H)-dione
CAS Number:
687572-56-1
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
MDL Number:
MFCD03829205
IUPAC Name:
2-(2-hydroxyethyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
InChI:
InChI=1S/C14H12N2O3/c1-8-11-12(9-4-2-3-5-10(9)15-8)14(19)16(6-7-17)13(11)18/h2-5,17H,6-7H2,1H3
InChI Key:
IXAMXLQXEAPGKI-UHFFFAOYSA-N
SMILES:
OCCN1C(=O)c2c(C1=O)c1ccccc1nc2C
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.261g/mol
Monoisotopic Mass:
256.085g/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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