200,000+ products from a single source!
sales@angenechem.com
164596-20-7 | Benzoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS No: 164596-20-7 Catalog No: AG001UYS MDL No:MFCD12488174
Product Description
Catalog Number:
AG001UYS
Chemical Name:
Benzoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS Number:
164596-20-7
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD12488174
IUPAC Name:
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
InChI:
InChI=1S/C13H17NO4/c1-13(2,3)18-12(16)14-10-7-5-9(6-8-10)11(15)17-4/h5-8H,1-4H3,(H,14,16)
InChI Key:
XUFDEWYARHDJQD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)NC(=O)OC(C)(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.