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147402-72-0 | Isoxazole, 3-methyl-5-(2R)-2-pyrrolidinyl-
CAS No: 147402-72-0 Catalog No: AG001EVV MDL No:MFCD00916915
Product Description
Catalog Number:
AG001EVV
Chemical Name:
Isoxazole, 3-methyl-5-(2R)-2-pyrrolidinyl-
CAS Number:
147402-72-0
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD00916915
IUPAC Name:
3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
InChI:
InChI=1S/C8H12N2O/c1-6-5-8(11-10-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3/t7-/m1/s1
InChI Key:
PJMAXCRZQLWZFH-SSDOTTSWSA-N
SMILES:
Cc1noc(c1)[C@H]1CCCN1
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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