1174020-25-7

Name trans-6-benzyloxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid
CAS 1174020-25-7
Molecular Formula C14H16N2O4
MDL Number MFCD28502389
Molecular Weight 276.29
MOL File 1174020-25-7.mol
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Chemical Properties

Boiling point  509.9±39.0 °C(Predicted)
density  1.41±0.1 g/cm3(Predicted)
pka 5.31±0.20(Predicted)
InChI InChI=1S/C14H16N2O4/c17-13(18)12-7-6-11-8-15(12)14(19)16(11)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,18)/t11-,12+/m1/s1
InChIKey UMHGLONVYIYIOU-NEPJUHHUSA-N
SMILES [N@]12C[C@]([H])(N(OCC3=CC=CC=C3)C1=O)CC[C@H]2C(O)=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H335-H319-H315
Precautionary statements  P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Spectrum Detail

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