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1142-11-6 | 2-Propenoic acid, 2-cyano-3-(2-furanyl)-, 1,1-dimethylethyl ester
CAS No: 1142-11-6 Catalog No: AG000AST MDL No:
Product Description
Catalog Number:
AG000AST
Chemical Name:
2-Propenoic acid, 2-cyano-3-(2-furanyl)-, 1,1-dimethylethyl ester
CAS Number:
1142-11-6
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
tert-butyl 2-cyano-3-(furan-2-yl)prop-2-enoate
InChI:
InChI=1S/C12H13NO3/c1-12(2,3)16-11(14)9(8-13)7-10-5-4-6-15-10/h4-7H,1-3H3
InChI Key:
TTZNRNNOKLDODH-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccco1)C(=O)OC(C)(C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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