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2-[(3-carboxypropyl)amino]benzoic acid

2-[(3-carboxypropyl)amino]benzoic acid

Formula: C11H13NO4

SMILES: OC(=O)CCCNC1=CC=CC=C1C(O)=O

IUPAC: 2-[(3-carboxypropyl)amino]benzoic acid

InChI: InChI=1S/C11H13NO4/c13-10(14)6-3-7-12-9-5-2-1-4-8(9)11(15)16/h1-2,4-5,12H,3,6-7H2,(H,13,14)(H,15,16)

Composition: C (59.19%), H (5.87%), N (6.27%), O (28.67%)

Molar Mass: 223.228

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 223.084457903
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey MSAWNXGCKNRHPY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.05
Topological Polar Surface Area 86.63
Polarizability 21.74
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H13NO4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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