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1796902-02-7 | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-hexahydro-1H-pyrrolo[1,2-c]imidazole-1,3-dione
CAS No: 1796902-02-7 Catalog No: AG00IOWW MDL No:MFCD26383446
Product Description
Catalog Number:
AG00IOWW
Chemical Name:
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-hexahydro-1H-pyrrolo[1,2-c]imidazole-1,3-dione
CAS Number:
1796902-02-7
Molecular Formula:
C14H14N2O4
Molecular Weight:
274.2720
MDL Number:
MFCD26383446
IUPAC Name:
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
InChI:
InChI=1S/C14H14N2O4/c17-13-10-2-1-5-15(10)14(18)16(13)9-3-4-11-12(8-9)20-7-6-19-11/h3-4,8,10H,1-2,5-7H2
InChI Key:
BTMAGSBMCIUQSP-UHFFFAOYSA-N
SMILES:
O=C1N2CCCC2C(=O)N1c1ccc2c(c1)OCCO2
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.276g/mol
Monoisotopic Mass:
274.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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