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1018128-26-1 | 3,5-dimethyl-4-pyrrolidin-2-ylisoxazole
CAS No: 1018128-26-1 Catalog No: AG008VN7 MDL No:MFCD09859204
Product Description
Catalog Number:
AG008VN7
Chemical Name:
3,5-dimethyl-4-pyrrolidin-2-ylisoxazole
CAS Number:
1018128-26-1
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
MDL Number:
MFCD09859204
IUPAC Name:
3,5-dimethyl-4-pyrrolidin-2-yl-1,2-oxazole
InChI:
InChI=1S/C9H14N2O/c1-6-9(7(2)12-11-6)8-4-3-5-10-8/h8,10H,3-5H2,1-2H3
InChI Key:
QDGZSVKOWPTPRN-UHFFFAOYSA-N
SMILES:
Cc1onc(c1C1CCCN1)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.224g/mol
Monoisotopic Mass:
166.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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