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119304-28-8 | 1,2-Benzenediol, 4-(2-aminoethyl)-, 2-benzoate
CAS No: 119304-28-8 Catalog No: AG000IKT MDL No:
Product Description
Catalog Number:
AG000IKT
Chemical Name:
1,2-Benzenediol, 4-(2-aminoethyl)-, 2-benzoate
CAS Number:
119304-28-8
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
IUPAC Name:
[5-(2-aminoethyl)-2-hydroxyphenyl] benzoate
InChI:
InChI=1S/C15H15NO3/c16-9-8-11-6-7-13(17)14(10-11)19-15(18)12-4-2-1-3-5-12/h1-7,10,17H,8-9,16H2
InChI Key:
WQJBDEHULKUMKX-UHFFFAOYSA-N
SMILES:
NCCc1ccc(c(c1)OC(=O)c1ccccc1)O
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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