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132690-91-6 | Benzoic acid, 4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-
CAS No: 132690-91-6 Catalog No: AG00110Z MDL No:MFCD07371516
Product Description
Catalog Number:
AG00110Z
Chemical Name:
Benzoic acid, 4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-
CAS Number:
132690-91-6
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
MDL Number:
MFCD07371516
IUPAC Name:
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid
InChI:
InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-9-8-10-4-6-11(7-5-10)12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)
InChI Key:
IIHASBWHDACFGZ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCc1ccc(cc1)C(=O)O
Properties
Complexity:
314
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:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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