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87696-47-7 | 2H-Azirine-2-carboxylic acid, 3-phenyl-, 5-hexenyl ester
CAS No: 87696-47-7 Catalog No: AG008DU2 MDL No:
Product Description
Catalog Number:
AG008DU2
Chemical Name:
2H-Azirine-2-carboxylic acid, 3-phenyl-, 5-hexenyl ester
CAS Number:
87696-47-7
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
IUPAC Name:
hex-5-enyl 3-phenyl-2H-azirine-2-carboxylate
InChI:
InChI=1S/C15H17NO2/c1-2-3-4-8-11-18-15(17)14-13(16-14)12-9-6-5-7-10-12/h2,5-7,9-10,14H,1,3-4,8,11H2
InChI Key:
CVBGGSVERITRDL-UHFFFAOYSA-N
SMILES:
C=CCCCCOC(=O)C1N=C1c1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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