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Home > Indoles and Oxindole > 114778-49-3
114778-49-3 | 1H-Isoindole-1,3(2H)-dione,2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-
CAS No: 114778-49-3 Catalog No: AG00HCWR MDL No:MFCD28991779
Product Description
Catalog Number:
AG00HCWR
Chemical Name:
1H-Isoindole-1,3(2H)-dione,2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-
CAS Number:
114778-49-3
Molecular Formula:
C14H15NO5
Molecular Weight:
277.2726
MDL Number:
MFCD28991779
IUPAC Name:
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]isoindole-1,3-dione
InChI:
InChI=1S/C14H15NO5/c1-14(2)18-7-9(20-14)8-19-15-12(16)10-5-3-4-6-11(10)13(15)17/h3-6,9H,7-8H2,1-2H3
InChI Key:
HOMXLUCZVUHMLW-UHFFFAOYSA-N
SMILES:
O=C1N(OCC2COC(O2)(C)C)C(=O)c2c1cccc2
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.276g/mol
Monoisotopic Mass:
277.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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