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20320-35-8 | Benzoic acid, 2-[[(1,1-dimethylethyl)amino]carbonyl]-
CAS No: 20320-35-8 Catalog No: AG0028QS MDL No:MFCD00029960
Product Description
Catalog Number:
AG0028QS
Chemical Name:
Benzoic acid, 2-[[(1,1-dimethylethyl)amino]carbonyl]-
CAS Number:
20320-35-8
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD00029960
IUPAC Name:
2-(tert-butylcarbamoyl)benzoic acid
InChI:
InChI=1S/C12H15NO3/c1-12(2,3)13-10(14)8-6-4-5-7-9(8)11(15)16/h4-7H,1-3H3,(H,13,14)(H,15,16)
InChI Key:
XCLHANSFIVZGFC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)NC(C)(C)C
Properties
Complexity:
281
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:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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