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

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

Formula: C11H13NO4

SMILES: NC(CCC1=CC=C(C=C1)C(O)=O)C(O)=O

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

InChI: InChI=1/C11H13NO4/c12-9(11(15)16)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5,9H,3,6,12H2,(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 1
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 SKYJBEYFTBBNEF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.97
Topological Polar Surface Area 100.62
Polarizability 22.11
Ring Count 1
Rotatable Bond Count 5

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Life Chemicals USA, Inc.
Supplier Profile
Purity LeadTime Formula PacketSize UnitPrice
95% <7 Days C11H13NO4 $460.35-$4,310.46$460.35$658.35$943.47$2,054.25$3,085.83$4,310.46
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Purity LeadTime Formula UnitPrice
98% <10 Days C11H13NO4 Quote Only
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