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88332-07-4

88332-07-4 | 1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxybutyl)-

CAS No: 88332-07-4 Catalog No: AG0047BY MDL No:

Product Description

Catalog Number:
AG0047BY
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxybutyl)-
CAS Number:
88332-07-4
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
2-(2-hydroxybutyl)isoindole-1,3-dione
InChI:
InChI=1S/C12H13NO3/c1-2-8(14)7-13-11(15)9-5-3-4-6-10(9)12(13)16/h3-6,8,14H,2,7H2,1H3
InChI Key:
BJIMTYJKOMOPEZ-UHFFFAOYSA-N
SMILES:
CCC(CN1C(=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:
1.8  

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