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1134776-30-9 | Benzoic acid, 4-[(1R)-1-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-
CAS No: 1134776-30-9 Catalog No: AG0008P9 MDL No:MFCD11505986
Product Description
Catalog Number:
AG0008P9
Chemical Name:
Benzoic acid, 4-[(1R)-1-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-
CAS Number:
1134776-30-9
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
MDL Number:
MFCD11505986
IUPAC Name:
4-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid
InChI:
InChI=1S/C14H19NO4/c1-9(15-13(18)19-14(2,3)4)10-5-7-11(8-6-10)12(16)17/h5-9H,1-4H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChI Key:
OKRPFRUXMOYTDV-SECBINFHSA-N
SMILES:
C[C@H](c1ccc(cc1)C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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