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Home > Indoles and Oxindole > 2060049-85-4
2060049-85-4 | 2-{[4-(hydroxymethyl)-1H-pyrazol-3-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 2060049-85-4 Catalog No: AG01BZM7 MDL No:MFCD30488551
Product Description
Catalog Number:
AG01BZM7
Chemical Name:
2-{[4-(hydroxymethyl)-1H-pyrazol-3-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
2060049-85-4
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
MDL Number:
MFCD30488551
IUPAC Name:
2-[[4-(hydroxymethyl)-1H-pyrazol-5-yl]methyl]isoindole-1,3-dione
InChI:
InChI=1S/C13H11N3O3/c17-7-8-5-14-15-11(8)6-16-12(18)9-3-1-2-4-10(9)13(16)19/h1-5,17H,6-7H2,(H,14,15)
InChI Key:
SBMXBESZBKZAFW-UHFFFAOYSA-N
SMILES:
OCc1c[nH]nc1CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.249g/mol
Monoisotopic Mass:
257.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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