Misplaced Pages

:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox - Misplaced Pages

Article snapshot taken from[REDACTED] with creative commons attribution-sharealike license. Give it a read and then ask your questions in the chat. We can research this topic together.
< Misplaced Pages:WikiProject Chemicals | Chembox validation

This is an old revision of this page, as edited by Beetstra (talk | contribs) at 18:40, 16 February 2012 (Saving copy of the {{chembox}} taken from revid 456563010 of page 7-ACA for the Chem/Drugbox validation project (updated: 'ChEMBL', 'ChEBI', 'KEGG').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 18:40, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 456563010 of page 7-ACA for the Chem/Drugbox validation project (updated: 'ChEMBL', 'ChEBI', 'KEGG').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 456563010 of page 7-ACA with values updated to verified values.
7-Aminocephalosporanic acid
Partially condensed, stereo, skeletal formula of 7-aminocephalosporanic acid ((6R,7R)-7-amino,-oct-2-ene)
Partially condensed, stereo, skeletal formula of 7-aminocephalosporanic acid ((6R,7R)-7-amino,-oct-2-ene)
Names
IUPAC name 3-(Acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclooct-2-ene-2-carboxylic acid
Other names 7-Aminocephalosporinic acid
Identifiers
CAS Number
3D model (JSmol)
Abbreviations 7-ACA
Beilstein Reference 622637, 8919572
ChEBI
ChemSpider
EC Number
  • 213-485-0
MeSH 7-Aminocephalosporanic+acid
PubChem CID
InChI
  • InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1Key: HSHGZXNAXBPPDL-HZGVNTEJSA-N
SMILES
  • O=C2N1/C(=C(\CS12N)COC(=O)C)C(=O)O
Properties
Chemical formula C10H12N2O5S
Molar mass 272.27 g·mol
Melting point 300 °C (572 °F; 573 K)
log P -1.87
Acidity (pKa) 2.59
Basicity (pKb) 11.41
Hazards
GHS labelling:
Pictograms GHS08: Health hazard
Signal word Danger
Hazard statements H317, H334
Precautionary statements P261, P280, P342+P311
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. ^ 7-ACA at Chemblink
Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox Add topic