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1018126-13-0 | 3-ethyl-5-pyrrolidin-2-ylisoxazole
CAS No: 1018126-13-0 Catalog No: AG00JFNW MDL No:MFCD09701953
Product Description
Catalog Number:
AG00JFNW
Chemical Name:
3-ethyl-5-pyrrolidin-2-ylisoxazole
CAS Number:
1018126-13-0
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
MDL Number:
MFCD09701953
IUPAC Name:
3-ethyl-5-pyrrolidin-2-yl-1,2-oxazole
InChI:
InChI=1S/C9H14N2O/c1-2-7-6-9(12-11-7)8-4-3-5-10-8/h6,8,10H,2-5H2,1H3
InChI Key:
AVRBCQVMEHMRQS-UHFFFAOYSA-N
SMILES:
CCc1noc(c1)C1CCCN1
Properties
Complexity:
152
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:
2
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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