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Home > Indoles and Oxindole > 88332-08-5
88332-08-5 | 1H-Isoindole-1,3(2H)-dione, 2-(3-hydroxybutyl)-
CAS No: 88332-08-5 Catalog No: AG0047BX MDL No:
Product Description
Catalog Number:
AG0047BX
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3-hydroxybutyl)-
CAS Number:
88332-08-5
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
2-(3-hydroxybutyl)isoindole-1,3-dione
InChI:
InChI=1S/C12H13NO3/c1-8(14)6-7-13-11(15)9-4-2-3-5-10(9)12(13)16/h2-5,8,14H,6-7H2,1H3
InChI Key:
AOOVAHXXKSHJSM-UHFFFAOYSA-N
SMILES:
CC(CCN1C(=O)c2c(C1=O)cccc2)O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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