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155567-87-6 | Benzoic acid, 3-[[[(1,1-dimethylethoxy)carbonyl]methylamino]methyl]-
CAS No: 155567-87-6 Catalog No: AG001NZU MDL No:MFCD11858334
Product Description
Catalog Number:
AG001NZU
Chemical Name:
Benzoic acid, 3-[[[(1,1-dimethylethoxy)carbonyl]methylamino]methyl]-
CAS Number:
155567-87-6
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
MDL Number:
MFCD11858334
IUPAC Name:
3-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]benzoic acid
InChI:
InChI=1S/C14H19NO4/c1-14(2,3)19-12(16)9-15-8-10-5-4-6-11(7-10)13(17)18/h4-7,15H,8-9H2,1-3H3,(H,17,18)
InChI Key:
QLSAAXCYONFWRY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)CNCc1cccc(c1)C(=O)O
Properties
Complexity:
322
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:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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