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37704-51-1 | 5,5'-(1,3-Propanediyl)bisisoxazole
CAS No: 37704-51-1 Catalog No: AG00D36Z MDL No:
Product Description
Catalog Number:
AG00D36Z
Chemical Name:
5,5'-(1,3-Propanediyl)bisisoxazole
CAS Number:
37704-51-1
IUPAC Name:
5-[3-(1,2-oxazol-5-yl)propyl]-1,2-oxazole
InChI:
InChI=1S/C9H10N2O2/c1(2-8-4-6-10-12-8)3-9-5-7-11-13-9/h4-7H,1-3H2
InChI Key:
GKAZHGXJGCPBJP-UHFFFAOYSA-N
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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