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74I : Summary

Code

74I

One-letter code

X

Molecule name

(Z)-2,3-bis(oxidanyl)prop-2-enoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (~{Z})-2,3-bis(oxidanyl)prop-2-enoic acid

Formula

C3 H4 O4

Formal charge

0

Molecular weight

104.061 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC=C(O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C(=C(C(=O)O)O)O
Canonical SMILES CACTVS 3.385 O/C=C(O)/C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C(=C(/C(=O)O)\O)\O

IUPAC InChI

InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1,4-5H,(H,6,7)/b2-1-

IUPAC InChI key

XHDBNNIXWWTOFN-UPHRSURJSA-N
74I

wwPDB Information

Atom count

11 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-08-04

Last modified at

2022-08-05

Status

Released

Obsoleted

Not Assigned