Home Carboxys 3-[amino(carboxy)methyl]benzoic acid hydrochloride

3-[amino(carboxy)methyl]benzoic acid hydrochloride

CAS No.:
156143-87-2
Catalog Number:
AG01A6FQ
Molecular Formula:
C9H10ClNO4
Molecular Weight:
231.6330
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Product Description
Catalog Number:
AG01A6FQ
Chemical Name:
3-[amino(carboxy)methyl]benzoic acid hydrochloride
CAS Number:
156143-87-2
Molecular Formula:
C9H10ClNO4
Molecular Weight:
231.6330
MDL Number:
MFCD26407590
IUPAC Name:
3-[amino(carboxy)methyl]benzoic acid;hydrochloride
InChI:
InChI=1S/C9H9NO4.ClH/c10-7(9(13)14)5-2-1-3-6(4-5)8(11)12;/h1-4,7H,10H2,(H,11,12)(H,13,14);1H
InChI Key:
QEYZDMJQWUJFFS-UHFFFAOYSA-N
SMILES:
NC(c1cccc(c1)C(=O)O)C(=O)O.Cl
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
231.632g/mol
Monoisotopic Mass:
231.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties