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165949-84-8 | Benzoic acid, 3-[1-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-
CAS No: 165949-84-8 Catalog No: AG001WF5 MDL No:MFCD12913674
Product Description
Catalog Number:
AG001WF5
Chemical Name:
Benzoic acid, 3-[1-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-
CAS Number:
165949-84-8
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
MDL Number:
MFCD12913674
IUPAC Name:
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid
InChI:
InChI=1S/C14H19NO4/c1-9(15-13(18)19-14(2,3)4)10-6-5-7-11(8-10)12(16)17/h5-9H,1-4H3,(H,15,18)(H,16,17)
InChI Key:
JWYITCUSPYOBSX-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(c1cccc(c1)C(=O)O)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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