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100589-87-5 | 2H-Azirine, 3-(3-buten-1-yl)-2-methyl-2-phenyl-
CAS No: 100589-87-5 Catalog No: AG0002EE MDL No:
Product Description
Catalog Number:
AG0002EE
Chemical Name:
2H-Azirine, 3-(3-buten-1-yl)-2-methyl-2-phenyl-
CAS Number:
100589-87-5
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
IUPAC Name:
3-but-3-enyl-2-methyl-2-phenylazirine
InChI:
InChI=1S/C13H15N/c1-3-4-10-12-13(2,14-12)11-8-6-5-7-9-11/h3,5-9H,1,4,10H2,2H3
InChI Key:
ANBGBEIEDIYRCX-UHFFFAOYSA-N
SMILES:
C=CCCC1=NC1(C)c1ccccc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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