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102271-83-0 | 2(3H)-Furanone, 3-(1,3-benzodioxol-5-ylmethylene)dihydro-, (E)- (9CI)
CAS No: 102271-83-0 Catalog No: AG00072Z MDL No:
Product Description
Catalog Number:
AG00072Z
Chemical Name:
2(3H)-Furanone, 3-(1,3-benzodioxol-5-ylmethylene)dihydro-, (E)- (9CI)
CAS Number:
102271-83-0
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
IUPAC Name:
3-(1,3-benzodioxol-5-ylmethylidene)oxolan-2-one
InChI:
InChI=1S/C12H10O4/c13-12-9(3-4-14-12)5-8-1-2-10-11(6-8)16-7-15-10/h1-2,5-6H,3-4,7H2
InChI Key:
UZLHPXPKYRQXJV-UHFFFAOYSA-N
SMILES:
O=C1OCC/C/1=C\c1ccc2c(c1)OCO2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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