sales@angenesci.com
Login | Register
logo
Structures Search
Home Carbonyls 2-(tert-Butoxycarbonylamino)-5-methyl-benzoic acid

2-(tert-Butoxycarbonylamino)-5-methyl-benzoic acid

CAS No.:
669713-60-4
Catalog Number:
AG00FAX7
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$119
- +
5g
96%
In Stock USA
United States
$357
- +
10g
96%
In Stock USA
United States
$675
- +
25g
95%
In Stock USA
United States
$1105
- +
Product Description
Catalog Number:
AG00FAX7
Chemical Name:
2-(tert-Butoxycarbonylamino)-5-methyl-benzoic acid
CAS Number:
669713-60-4
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD02682221
IUPAC Name:
5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
InChI:
InChI=1S/C13H17NO4/c1-8-5-6-10(9(7-8)11(15)16)14-12(17)18-13(2,3)4/h5-7H,1-4H3,(H,14,17)(H,15,16)
InChI Key:
FQMHARFGTWUWNU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(cc1C(=O)O)C
Properties
Complexity:
321  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties