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Home > Indoles and Oxindole > 3699-52-3
3699-52-3 | 2-(2-hydroxypropyl)-2,3-dihydro-1H-isoindol-1-one
CAS No: 3699-52-3 Catalog No: AG01BCCO MDL No:MFCD28638928
Product Description
Catalog Number:
AG01BCCO
Chemical Name:
2-(2-hydroxypropyl)-2,3-dihydro-1H-isoindol-1-one
CAS Number:
3699-52-3
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD28638928
IUPAC Name:
2-(2-hydroxypropyl)-3H-isoindol-1-one
InChI:
InChI=1S/C11H13NO2/c1-8(13)6-12-7-9-4-2-3-5-10(9)11(12)14/h2-5,8,13H,6-7H2,1H3
InChI Key:
OPOGNIWCPQRLAU-UHFFFAOYSA-N
SMILES:
CC(CN1Cc2c(C1=O)cccc2)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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