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2-amino-3-[3-(methoxycarbonyl)phenyl]propanoic acid hydrochloride

2-amino-3-[3-(methoxycarbonyl)phenyl]propanoic acid hydrochloride

CAS: 2376143-22-3

Formula: C11H14ClNO4

SMILES: Cl.COC(=O)C1=CC=CC(CC(N)C(O)=O)=C1

IUPAC: 2-amino-3-[3-(methoxycarbonyl)phenyl]propanoic acid hydrochloride

InChI: InChI=1/C11H13NO4.ClH/c1-16-11(15)8-4-2-3-7(5-8)6-9(12)10(13)14;/h2-5,9H,6,12H2,1H3,(H,13,14);1H

Composition: C (50.88%), H (5.43%), Cl (13.65%), N (5.39%), O (24.64%)

Molar Mass: 259.69

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 259.0611356
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ZCXSTXZWTSZMNY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.14
Topological Polar Surface Area 89.62
Polarizability 22.35
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2376143-22-3 $201.25-$4,597.70$201.25$286.35$457.70$687.70$1,147.70$4,597.70
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