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144344-97-8 | 1,3-Benzodioxole, 5-[3-(2-azidoethyl)-1-cyclohexen-1-yl]-
CAS No: 144344-97-8 Catalog No: AG001JDM MDL No:
Product Description
Catalog Number:
AG001JDM
Chemical Name:
1,3-Benzodioxole, 5-[3-(2-azidoethyl)-1-cyclohexen-1-yl]-
CAS Number:
144344-97-8
Molecular Formula:
C15H17N3O2
Molecular Weight:
271.3144
IUPAC Name:
5-[3-(2-azidoethyl)cyclohexen-1-yl]-1,3-benzodioxole
InChI:
InChI=1S/C15H17N3O2/c16-18-17-7-6-11-2-1-3-12(8-11)13-4-5-14-15(9-13)20-10-19-14/h4-5,8-9,11H,1-3,6-7,10H2
InChI Key:
UOZYPWQXHBFVPC-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCC1CCCC(=C1)c1ccc2c(c1)OCO2
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.32g/mol
Monoisotopic Mass:
271.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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