200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 81461-98-5
81461-98-5 | Benzoic acid, 2-(2-oxo-1-azetidinyl)-5-(phenoxymethyl)-, methyl ester
CAS No: 81461-98-5 Catalog No: AG005KJQ MDL No:
Product Description
Catalog Number:
AG005KJQ
Chemical Name:
Benzoic acid, 2-(2-oxo-1-azetidinyl)-5-(phenoxymethyl)-, methyl ester
CAS Number:
81461-98-5
Molecular Formula:
C18H17NO4
Molecular Weight:
311.3319
IUPAC Name:
methyl 2-(2-oxoazetidin-1-yl)-5-(phenoxymethyl)benzoate
InChI:
InChI=1S/C18H17NO4/c1-22-18(21)15-11-13(12-23-14-5-3-2-4-6-14)7-8-16(15)19-10-9-17(19)20/h2-8,11H,9-10,12H2,1H3
InChI Key:
QLEDMZFYSJVGDZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(COc2ccccc2)ccc1N1CCC1=O
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.337g/mol
Monoisotopic Mass:
311.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.