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1255099-23-0 | Benzoic acid, 3-(2-aminoethyl)-2-hydroxy-, hydrobromide (1:1)
CAS No: 1255099-23-0 Catalog No: AG000NSS MDL No:
Product Description
Catalog Number:
AG000NSS
Chemical Name:
Benzoic acid, 3-(2-aminoethyl)-2-hydroxy-, hydrobromide (1:1)
CAS Number:
1255099-23-0
Molecular Formula:
C9H12BrNO3
Molecular Weight:
262.1005
IUPAC Name:
3-(2-aminoethyl)-2-hydroxybenzoic acid;hydrobromide
InChI:
InChI=1S/C9H11NO3.BrH/c10-5-4-6-2-1-3-7(8(6)11)9(12)13;/h1-3,11H,4-5,10H2,(H,12,13);1H
InChI Key:
AEWGWNWOYMQGOH-UHFFFAOYSA-N
SMILES:
NCCc1cccc(c1O)C(=O)O.Br
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
262.103g/mol
Monoisotopic Mass:
261g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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