200,000+ products from a single source!
sales@angenechem.com
137869-70-6 | Pyrrolo[2,1-b]oxazol-5(6H)-one, tetrahydro-7a-methyl-3-phenyl-, (3R,7aS)-
CAS No: 137869-70-6 Catalog No: AG0013ZL MDL No:
Product Description
Catalog Number:
AG0013ZL
Chemical Name:
Pyrrolo[2,1-b]oxazol-5(6H)-one, tetrahydro-7a-methyl-3-phenyl-, (3R,7aS)-
CAS Number:
137869-70-6
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
(3R,7aS)-7a-methyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
InChI:
InChI=1S/C13H15NO2/c1-13-8-7-12(15)14(13)11(9-16-13)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-,13-/m0/s1
InChI Key:
JVEHIYMWPAQEIR-AAEUAGOBSA-N
SMILES:
O=C1CC[C@]2(N1[C@@H](CO2)c1ccccc1)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.