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885461-58-5 | 2-Pyrrolidin-2-yl-1,3-benzoxazole
CAS No: 885461-58-5 Catalog No: AG01E9MN MDL No:
Product Description
Catalog Number:
AG01E9MN
Chemical Name:
2-Pyrrolidin-2-yl-1,3-benzoxazole
CAS Number:
885461-58-5
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
2-pyrrolidin-2-yl-1,3-benzoxazole
InChI:
InChI=1S/C11H12N2O/c1-2-6-10-8(4-1)13-11(14-10)9-5-3-7-12-9/h1-2,4,6,9,12H,3,5,7H2
InChI Key:
XKEVDZMTMKDMAT-UHFFFAOYSA-N
SMILES:
C1CNC(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:
1.7
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