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1018126-16-3 | 5-isopropyl-3-pyrrolidin-2-ylisoxazole
CAS No: 1018126-16-3 Catalog No: AG008VBF MDL No:MFCD09701956
Product Description
Catalog Number:
AG008VBF
Chemical Name:
5-isopropyl-3-pyrrolidin-2-ylisoxazole
CAS Number:
1018126-16-3
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
MDL Number:
MFCD09701956
IUPAC Name:
5-propan-2-yl-3-pyrrolidin-2-yl-1,2-oxazole
InChI:
InChI=1S/C10H16N2O/c1-7(2)10-6-9(12-13-10)8-4-3-5-11-8/h6-8,11H,3-5H2,1-2H3
InChI Key:
AKSJGCJJRTZWNS-UHFFFAOYSA-N
SMILES:
CC(c1onc(c1)C1CCCN1)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.251g/mol
Monoisotopic Mass:
180.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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