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Home > Indoles and Oxindole > 72695-21-7
72695-21-7 | 1-(4-hydroxy-2,3-dihydro-1H-isoindol-2-yl)ethan-1-one
CAS No: 72695-21-7 Catalog No: AG01BOAM MDL No:MFCD30498891
Product Description
Catalog Number:
AG01BOAM
Chemical Name:
1-(4-hydroxy-2,3-dihydro-1H-isoindol-2-yl)ethan-1-one
CAS Number:
72695-21-7
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD30498891
IUPAC Name:
1-(4-hydroxy-1,3-dihydroisoindol-2-yl)ethanone
InChI:
InChI=1S/C10H11NO2/c1-7(12)11-5-8-3-2-4-10(13)9(8)6-11/h2-4,13H,5-6H2,1H3
InChI Key:
VRHOTFVLQSCFLA-UHFFFAOYSA-N
SMILES:
CC(=O)N1Cc2c(C1)cccc2O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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