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99985-73-6 | 4-[(TERT-BUTYL)AMINO]-BENZOIC ACID
CAS No: 99985-73-6 Catalog No: AG003VKT MDL No:MFCD00457808
Product Description
Catalog Number:
AG003VKT
Chemical Name:
4-[(TERT-BUTYL)AMINO]-BENZOIC ACID
CAS Number:
99985-73-6
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD00457808
IUPAC Name:
4-(tert-butylamino)benzoic acid
InChI:
InChI=1S/C11H15NO2/c1-11(2,3)12-9-6-4-8(5-7-9)10(13)14/h4-7,12H,1-3H3,(H,13,14)
InChI Key:
HSQUIQMFMBAAEB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)NC(C)(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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