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123686-29-3 | Pyridine, 1,2,3,6-tetrahydro-5-(5-methyl-3-isoxazolyl)- (9CI)
CAS No: 123686-29-3 Catalog No: AG00A6L2 MDL No:MFCD18836278
Product Description
Catalog Number:
AG00A6L2
Chemical Name:
Pyridine, 1,2,3,6-tetrahydro-5-(5-methyl-3-isoxazolyl)- (9CI)
CAS Number:
123686-29-3
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD18836278
IUPAC Name:
5-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-oxazole
InChI:
InChI=1S/C9H12N2O/c1-7-5-9(11-12-7)8-3-2-4-10-6-8/h3,5,10H,2,4,6H2,1H3
InChI Key:
KUJXUWANVKXVGT-UHFFFAOYSA-N
SMILES:
Cc1cc(no1)C1=CCCNC1
Properties
Complexity:
191
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:
1
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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