Pht-ala-oh

C11H9NO4CAS 4192-28-3219.20 g/mol

OHONOO
AmideCarboxylic acidLactam

Properties

Molecular formula
C11H9NO4
Molar mass
219.20 g/mol
Exact mass
219.0532 Da
logP
0.76Crippen estimate
Polar surface area
74.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
4192-28-3
SMILES
C[C@@H](C(=O)O)N1C(=O)C2=CC=CC=C2C1=O
InChIKey
OZWUITKBAWTEAQ-LURJTMIESA-N
InChI
InChI=1S/C11H9NO4/c1-6(11(15)16)12-9(13)7-4-2-3-5-8(7)10(12)14/h2-6H,1H3,(H,15,16)/t6-/m0/s1

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Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Elsewhere