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amino(2,4-dimethoxyphenyl)acetic acid

amino(2,4-dimethoxyphenyl)acetic acid

CAS: 116435-36-0

Formula: C10H13NO4

SMILES: COC1=CC(OC)=C(C=C1)C(N)C(O)=O

IUPAC: 2-amino-2-(2,4-dimethoxyphenyl)acetic acid

InChI: InChI=1/C10H13NO4/c1-14-6-3-4-7(8(5-6)15-2)9(11)10(12)13/h3-5,9H,11H2,1-2H3,(H,12,13)

Composition: C (56.87%), H (6.20%), N (6.63%), O (30.30%)

Molar Mass: 211.217

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 211.084457903
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey FILCLWAUZHLXFI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.29
Topological Polar Surface Area 81.78
Polarizability 21.12
Ring Count 1
Rotatable Bond Count 4

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