200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1220028-00-1
1220028-00-1 | Benzoic acid, 2-(3-azetidinyloxy)-, ethyl ester
CAS No: 1220028-00-1 Catalog No: AG0016KA MDL No:MFCD13559900
Product Description
Catalog Number:
AG0016KA
Chemical Name:
Benzoic acid, 2-(3-azetidinyloxy)-, ethyl ester
CAS Number:
1220028-00-1
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD13559900
IUPAC Name:
ethyl 2-(azetidin-3-yloxy)benzoate
InChI:
InChI=1S/C12H15NO3/c1-2-15-12(14)10-5-3-4-6-11(10)16-9-7-13-8-9/h3-6,9,13H,2,7-8H2,1H3
InChI Key:
HZZDHQROOJYGKH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1OC1CNC1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.