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141871-02-5 | Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]methylamino]-
CAS No: 141871-02-5 Catalog No: AG001H9W MDL No:MFCD00237567
Product Description
Catalog Number:
AG001H9W
Chemical Name:
Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]methylamino]-
CAS Number:
141871-02-5
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD00237567
IUPAC Name:
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoic acid
InChI:
InChI=1S/C13H17NO4/c1-13(2,3)18-12(17)14(4)10-8-6-5-7-9(10)11(15)16/h5-8H,1-4H3,(H,15,16)
InChI Key:
UXLICAHPTWWCII-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)CNc1ccccc1C(=O)O
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:
1
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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