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651314-30-6 | Isoxazole, 5-[(1Z)-2-(2-pyrrolidinyl)ethenyl]- (9CI)
CAS No: 651314-30-6 Catalog No: AG00EZG3 MDL No:
Product Description
Catalog Number:
AG00EZG3
Chemical Name:
Isoxazole, 5-[(1Z)-2-(2-pyrrolidinyl)ethenyl]- (9CI)
CAS Number:
651314-30-6
IUPAC Name:
5-(2-pyrrolidin-2-ylethenyl)-1,2-oxazole
InChI:
InChI=1S/C9H12N2O/c1-2-8(10-6-1)3-4-9-5-7-11-12-9/h3-5,7-8,10H,1-2,6H2
InChI Key:
FYHDVIIKKLEKMZ-UHFFFAOYSA-N
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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