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Home > Indoles and Oxindole > 480-91-1
480-91-1 | 2,3-Dihydro-1H-isoindol-1-one
CAS No: 480-91-1 Catalog No: AG00351U MDL No:MFCD03085939
Product Description
Catalog Number:
AG00351U
Chemical Name:
2,3-Dihydro-1H-isoindol-1-one
CAS Number:
480-91-1
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
MDL Number:
MFCD03085939
IUPAC Name:
2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C8H7NO/c10-8-7-4-2-1-3-6(7)5-9-8/h1-4H,5H2,(H,9,10)
InChI Key:
PXZQEOJJUGGUIB-UHFFFAOYSA-N
SMILES:
O=C1NCc2c1cccc2
UNII:
41DB5814AL
NSC Number:
3689
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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