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102271-78-3 | 2(3H)-Furanone, 3-[[4-(dimethylamino)phenyl]methylene]dihydro-, (3E)-
CAS No: 102271-78-3 Catalog No: AG000730 MDL No:
Product Description
Catalog Number:
AG000730
Chemical Name:
2(3H)-Furanone, 3-[[4-(dimethylamino)phenyl]methylene]dihydro-, (3E)-
CAS Number:
102271-78-3
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
3-[[4-(dimethylamino)phenyl]methylidene]oxolan-2-one
InChI:
InChI=1S/C13H15NO2/c1-14(2)12-5-3-10(4-6-12)9-11-7-8-16-13(11)15/h3-6,9H,7-8H2,1-2H3
InChI Key:
GQHNDMLBKQUGIZ-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)/C=C/1\CCOC1=O)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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