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3-amino-3-(3,4-dihydroxyphenyl)propanoic acid

3-amino-3-(3,4-dihydroxyphenyl)propanoic acid

CAS: 174502-37-5

Formula: C9H11NO4

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

IUPAC: 3-amino-3-(3,4-dihydroxyphenyl)propanoic acid

InChI: InChI=1/C9H11NO4/c10-6(4-9(13)14)5-1-2-7(11)8(12)3-5/h1-3,6,11-12H,4,10H2,(H,13,14)

Composition: C (54.82%), H (5.62%), N (7.10%), O (32.45%)

Molar Mass: 197.19

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 197.068807838
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 4
InChIKey GXKOWQKLXRMVLF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.95
Topological Polar Surface Area 103.78
Polarizability 19.16
Ring Count 1
Rotatable Bond Count 3

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