Home Carboxys 4-amino-3-(3-carboxypropyl)benzoic acid

4-amino-3-(3-carboxypropyl)benzoic acid

CAS No.:
1193389-28-4
Catalog Number:
AG019VRW
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
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Product Description
Catalog Number:
AG019VRW
Chemical Name:
4-amino-3-(3-carboxypropyl)benzoic acid
CAS Number:
1193389-28-4
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD12197368
IUPAC Name:
4-amino-3-(3-carboxypropyl)benzoic acid
InChI:
InChI=1S/C11H13NO4/c12-9-5-4-8(11(15)16)6-7(9)2-1-3-10(13)14/h4-6H,1-3,12H2,(H,13,14)(H,15,16)
InChI Key:
QZDRDYKVUQDJIT-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1cc(ccc1N)C(=O)O
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties