200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 88072-16-6
88072-16-6 | Benzoic acid, 4-methyl-3-(2-oxo-1-azetidinyl)-, methyl ester
CAS No: 88072-16-6 Catalog No: AG004KKC MDL No:
Product Description
Catalog Number:
AG004KKC
Chemical Name:
Benzoic acid, 4-methyl-3-(2-oxo-1-azetidinyl)-, methyl ester
CAS Number:
88072-16-6
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
methyl 4-methyl-3-(2-oxoazetidin-1-yl)benzoate
InChI:
InChI=1S/C12H13NO3/c1-8-3-4-9(12(15)16-2)7-10(8)13-6-5-11(13)14/h3-4,7H,5-6H2,1-2H3
InChI Key:
AZNKEPPMBKIKOR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)N1CCC1=O)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^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.