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Home > Indoles and Oxindole > 174810-06-1
174810-06-1 | 1H-Isoindole-1,3(2H)-dione, 2-[(1R)-1-(hydroxymethyl)-2-propen-1-yl]-
CAS No: 174810-06-1 Catalog No: AG001ZYT MDL No:
Product Description
Catalog Number:
AG001ZYT
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(1R)-1-(hydroxymethyl)-2-propen-1-yl]-
CAS Number:
174810-06-1
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
2-[(2R)-1-hydroxybut-3-en-2-yl]isoindole-1,3-dione
InChI:
InChI=1S/C12H11NO3/c1-2-8(7-14)13-11(15)9-5-3-4-6-10(9)12(13)16/h2-6,8,14H,1,7H2/t8-/m1/s1
InChI Key:
XWARCKJYBAUGMZ-MRVPVSSYSA-N
SMILES:
OC[C@H](N1C(=O)c2c(C1=O)cccc2)C=C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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