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Home > Indoles and Oxindole > 3700-55-8
3700-55-8 | 1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxypropyl)-
CAS No: 3700-55-8 Catalog No: AG00I7BB MDL No:MFCD14587522
Product Description
Catalog Number:
AG00I7BB
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxypropyl)-
CAS Number:
3700-55-8
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD14587522
IUPAC Name:
2-(2-hydroxypropyl)isoindole-1,3-dione
InChI:
InChI=1S/C11H11NO3/c1-7(13)6-12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5,7,13H,6H2,1H3
InChI Key:
XCQKPHDATCXMAA-UHFFFAOYSA-N
SMILES:
CC(CN1C(=O)c2c(C1=O)cccc2)O
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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