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2060005-43-6 | 1-(4-hydroxy-2,3-dihydro-1H-isoindol-2-yl)propan-1-one
CAS No: 2060005-43-6 Catalog No: AG01BOAN MDL No:MFCD30498892
Product Description
Catalog Number:
AG01BOAN
Chemical Name:
1-(4-hydroxy-2,3-dihydro-1H-isoindol-2-yl)propan-1-one
CAS Number:
2060005-43-6
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD30498892
IUPAC Name:
1-(4-hydroxy-1,3-dihydroisoindol-2-yl)propan-1-one
InChI:
InChI=1S/C11H13NO2/c1-2-11(14)12-6-8-4-3-5-10(13)9(8)7-12/h3-5,13H,2,6-7H2,1H3
InChI Key:
OQEODSLINPTXNF-UHFFFAOYSA-N
SMILES:
CCC(=O)N1Cc2c(C1)cccc2O
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:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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