bis(butanedioic acid);carbonic acid

C9H14O11 — CID 159577506

IUPACbis(butanedioic acid);carbonic acid
SMILESO=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)O
InChIInChI=1S/2C4H6O4.CH2O3/c2*5-3(6)1-2-4(7)8;2-1(3)4/h2*1-2H2,(H,5,6)(H,7,8);(H2,2,3,4)
InChIKeyMIPAOONFKSZNDF-UHFFFAOYSA-N
MW298.20 g/mol
LogP0.09
Rot. Bonds6

About bis(butanedioic acid);carbonic acid

bis(butanedioic acid);carbonic acid (PubChem CID 159577506) has the molecular formula C9H14O11 and a molecular weight of 298.20 g/mol. Its IUPAC name is bis(butanedioic acid);carbonic acid.

Molecular Properties

Compound Namebis(butanedioic acid);carbonic acid
PubChem CID159577506
Molecular FormulaC9H14O11
Molecular Weight298.20 g/mol
Exact Mass298.05
IUPAC Namebis(butanedioic acid);carbonic acid
SMILESO=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)O
InChIInChI=1S/2C4H6O4.CH2O3/c2*5-3(6)1-2-4(7)8;2-1(3)4/h2*1-2H2,(H,5,6)(H,7,8);(H2,2,3,4)
InChIKeyMIPAOONFKSZNDF-UHFFFAOYSA-N
XLogP0.09
TPSA206.73 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.20
LogP ≤ 50.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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Related Compounds

butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629
trisodium;butanedioic acid
CID 175698490
azane;butanedioic acid
CID 87070561
bis(butanedioic acid);hydroxylamine
CID 174855273
azane;butanedioic acid;dihydrate
CID 141112137
butanedioic acid;ethene
CID 87532899
butanedioic acid;zinc;dihydrate
CID 175420905
butanedioic acid;zinc;dihydrate
CID 175091968
butanedioic acid;difluoromethane
CID 159584710
azane;butanedioic acid;methanol
CID 131741728
sodium;butanedioic acid;hydride;trihydrate
CID 173259329

Frequently Asked Questions

What is the IUPAC name of bis(butanedioic acid);carbonic acid?
The IUPAC name of bis(butanedioic acid);carbonic acid (CID 159577506) is bis(butanedioic acid);carbonic acid.
What is the SMILES notation for bis(butanedioic acid);carbonic acid?
The canonical SMILES for bis(butanedioic acid);carbonic acid is O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)O.
What is the InChIKey of bis(butanedioic acid);carbonic acid?
The InChIKey is MIPAOONFKSZNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O4.CH2O3/c2*5-3(6)1-2-4(7)8;2-1(3)4/h2*1-2H2,(H,5,6)(H,7,8);(H2,2,3,4).
What are the key properties of bis(butanedioic acid);carbonic acid?
bis(butanedioic acid);carbonic acid has a molecular weight of 298.20 g/mol, XLogP of 0.09, 6 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butanedioic acid);carbonic acid is sourced from PubChem (CID 159577506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).