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851434-82-7 | Isoxazole, 3-methyl-5-(2-pyrrolidinyl)-
CAS No: 851434-82-7 Catalog No: AG00G4KR MDL No:MFCD10001571
Product Description
Catalog Number:
AG00G4KR
Chemical Name:
Isoxazole, 3-methyl-5-(2-pyrrolidinyl)-
CAS Number:
851434-82-7
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD10001571
IUPAC Name:
3-methyl-5-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
InChI Key:
PJMAXCRZQLWZFH-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)C1CCCN1
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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