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168417-24-1 | 2(3H)-Furanone, dihydro-3-[(methylamino)methylene]-, (3E)-
CAS No: 168417-24-1 Catalog No: AG001Y1Z MDL No:
Product Description
Catalog Number:
AG001Y1Z
Chemical Name:
2(3H)-Furanone, dihydro-3-[(methylamino)methylene]-, (3E)-
CAS Number:
168417-24-1
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
IUPAC Name:
3-(methylaminomethylidene)oxolan-2-one
InChI:
InChI=1S/C6H9NO2/c1-7-4-5-2-3-9-6(5)8/h4,7H,2-3H2,1H3
InChI Key:
JWLLZZHOXWKUDO-UHFFFAOYSA-N
SMILES:
CN/C=C/1\CCOC1=O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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