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1018163-28-4 | 3-isopropyl-5-pyrrolidin-2-ylisoxazole
CAS No: 1018163-28-4 Catalog No: AG0090L7 MDL No:MFCD09701954
Product Description
Catalog Number:
AG0090L7
Chemical Name:
3-isopropyl-5-pyrrolidin-2-ylisoxazole
CAS Number:
1018163-28-4
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
MDL Number:
MFCD09701954
IUPAC Name:
3-propan-2-yl-5-pyrrolidin-2-yl-1,2-oxazole
InChI:
InChI=1S/C10H16N2O/c1-7(2)9-6-10(13-12-9)8-4-3-5-11-8/h6-8,11H,3-5H2,1-2H3
InChI Key:
AOVXBLGZZGFZSD-UHFFFAOYSA-N
SMILES:
CC(c1noc(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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