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87696-50-2 | 2H-Azirine-2-carboxylic acid, 3-phenyl-, 3-butenyl ester
CAS No: 87696-50-2 Catalog No: AG004GLZ MDL No:
Product Description
Catalog Number:
AG004GLZ
Chemical Name:
2H-Azirine-2-carboxylic acid, 3-phenyl-, 3-butenyl ester
CAS Number:
87696-50-2
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
but-3-enyl 3-phenyl-2H-azirine-2-carboxylate
InChI:
InChI=1S/C13H13NO2/c1-2-3-9-16-13(15)12-11(14-12)10-7-5-4-6-8-10/h2,4-8,12H,1,3,9H2
InChI Key:
AIKWCFCVLIEGAT-UHFFFAOYSA-N
SMILES:
C=CCCOC(=O)C1N=C1c1ccccc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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