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2-hydroxy-5-propanamidobenzoic acid

2-hydroxy-5-propanamidobenzoic acid

CAS: 93968-80-0

Formula: C10H11NO4

SMILES: CCC(=O)NC1=CC(C(O)=O)=C(O)C=C1

IUPAC: 2-hydroxy-5-propanamidobenzoic acid

InChI: InChI=1S/C10H11NO4/c1-2-9(13)11-6-3-4-8(12)7(5-6)10(14)15/h3-5,12H,2H2,1H3,(H,11,13)(H,14,15)

Composition: C (57.41%), H (5.30%), N (6.70%), O (30.59%)

Molar Mass: 209.201

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 209.068807838
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey WQIMCNDDLFCXFG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.79
Topological Polar Surface Area 86.63
Polarizability 20.06
Ring Count 1
Rotatable Bond Count 3

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