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1340468-65-6 | 2-(pyrrolidin-3-yl)-1,3-benzoxazole
CAS No: 1340468-65-6 Catalog No: AG01AG2L MDL No:MFCD17272690
Product Description
Catalog Number:
AG01AG2L
Chemical Name:
2-(pyrrolidin-3-yl)-1,3-benzoxazole
CAS Number:
1340468-65-6
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD17272690
IUPAC Name:
2-pyrrolidin-3-yl-1,3-benzoxazole
InChI:
InChI=1S/C11H12N2O/c1-2-4-10-9(3-1)13-11(14-10)8-5-6-12-7-8/h1-4,8,12H,5-7H2
InChI Key:
JNQZNLFYFBJNEC-UHFFFAOYSA-N
SMILES:
C1NCC(C1)c1nc2c(o1)cccc2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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