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114069-59-9 | 2-Butenoic acid, 4,5-dihydro-2,5-dimethyl-4-oxo-3-furanyl ester
CAS No: 114069-59-9 Catalog No: AG000AGW MDL No:
Product Description
Catalog Number:
AG000AGW
Chemical Name:
2-Butenoic acid, 4,5-dihydro-2,5-dimethyl-4-oxo-3-furanyl ester
CAS Number:
114069-59-9
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
IUPAC Name:
(2,5-dimethyl-4-oxofuran-3-yl) but-2-enoate
InChI:
InChI=1S/C10H12O4/c1-4-5-8(11)14-10-7(3)13-6(2)9(10)12/h4-6H,1-3H3
InChI Key:
YVFQXCOIOUFHMB-UHFFFAOYSA-N
SMILES:
CC=CC(=O)OC1=C(C)OC(C1=O)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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