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3-{[(5-chloro-2-methoxyphenyl)methyl]amino}propanoic acid

3-{[(5-chloro-2-methoxyphenyl)methyl]amino}propanoic acid

Formula: C11H14ClNO3

SMILES: COC1=CC=C(Cl)C=C1CNCCC(O)=O

IUPAC: 3-{[(5-chloro-2-methoxyphenyl)methyl]amino}propanoic acid

InChI: InChI=1S/C11H14ClNO3/c1-16-10-3-2-9(12)6-8(10)7-13-5-4-11(14)15/h2-3,6,13H,4-5,7H2,1H3,(H,14,15)

Composition: C (54.22%), H (5.79%), Cl (14.55%), N (5.75%), O (19.70%)

Molar Mass: 243.69

Atom Count: 30

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 243.066221
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey MHHQYBFVBRZJSR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.36
Topological Polar Surface Area 58.56
Polarizability 24.15
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H14ClNO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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