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1000932-34-2 | Isoxazole, 5-methyl-3-(2-pyrrolidinyl)-
CAS No: 1000932-34-2 Catalog No: AG0000VK MDL No:MFCD09863362
Product Description
Catalog Number:
AG0000VK
Chemical Name:
Isoxazole, 5-methyl-3-(2-pyrrolidinyl)-
CAS Number:
1000932-34-2
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD09863362
IUPAC Name:
5-methyl-3-pyrrolidin-2-yl-1,2-oxazole
InChI:
InChI=1S/C8H12N2O/c1-6-5-8(10-11-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3
InChI Key:
QHCHHBRSMFGRQX-UHFFFAOYSA-N
SMILES:
Cc1onc(c1)C1CCCN1
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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