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1251268-90-2 | (1-(benzo[d]oxazol-2-yl)pyrrolidin-2-yl)methanol
CAS No: 1251268-90-2 Catalog No: AG018NN7 MDL No:MFCD14660946
Product Description
Catalog Number:
AG018NN7
Chemical Name:
(1-(benzo[d]oxazol-2-yl)pyrrolidin-2-yl)methanol
CAS Number:
1251268-90-2
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD14660946
IUPAC Name:
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
InChI:
InChI=1S/C12H14N2O2/c15-8-9-4-3-7-14(9)12-13-10-5-1-2-6-11(10)16-12/h1-2,5-6,9,15H,3-4,7-8H2
InChI Key:
JQIFTSYHCMTUAV-UHFFFAOYSA-N
SMILES:
OCC1CCCN1c1nc2c(o1)cccc2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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