but-3-enoic acid;sulfuric acid

C4H8O6S — CID 87373537

IUPACbut-3-enoic acid;sulfuric acid
SMILESC=CCC(=O)O.O=S(=O)(O)O
InChIInChI=1S/C4H6O2.H2O4S/c1-2-3-4(5)6;1-5(2,3)4/h2H,1,3H2,(H,5,6);(H2,1,2,3,4)
InChIKeyAVDISSYKVHXSSU-UHFFFAOYSA-N
MW184.17 g/mol
LogP-0.01
Rot. Bonds2

About but-3-enoic acid;sulfuric acid

but-3-enoic acid;sulfuric acid (PubChem CID 87373537) has the molecular formula C4H8O6S and a molecular weight of 184.17 g/mol. Its IUPAC name is but-3-enoic acid;sulfuric acid.

Molecular Properties

Compound Namebut-3-enoic acid;sulfuric acid
PubChem CID87373537
Molecular FormulaC4H8O6S
Molecular Weight184.17 g/mol
Exact Mass184.00
IUPAC Namebut-3-enoic acid;sulfuric acid
SMILESC=CCC(=O)O.O=S(=O)(O)O
InChIInChI=1S/C4H6O2.H2O4S/c1-2-3-4(5)6;1-5(2,3)4/h2H,1,3H2,(H,5,6);(H2,1,2,3,4)
InChIKeyAVDISSYKVHXSSU-UHFFFAOYSA-N
XLogP-0.01
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

but-3-enoic acid;dichloromethane
CID 174886985
but-3-enoic acid;1,3,4-thiadiazolidine-2,5-dithione
CID 174955796
but-3-enoic acid;terephthalic acid
CID 158519909
buta-1,3-dien-1-one;but-3-enoic acid
CID 90976636
but-3-enoic acid;furan
CID 174949831
(3Z)-4-methylhepta-3,6-dienoic acid
CID 14197243
3-oxohex-5-enoic acid
CID 22076660
but-3-enoic acid;trimethylsilyl but-3-enoate
CID 159552551
2-amino-2-ethylbutanoic acid;but-3-enoic acid
CID 87783840
but-3-enoic acid;ethenyl propanoate
CID 157316958
carbonic acid;4-methylidenehepta-1,6-diene
CID 88505176
(E)-2,3-bis(prop-2-enyl)but-2-enedioic acid
CID 87162043

Frequently Asked Questions

What is the IUPAC name of but-3-enoic acid;sulfuric acid?
The IUPAC name of but-3-enoic acid;sulfuric acid (CID 87373537) is but-3-enoic acid;sulfuric acid.
What is the SMILES notation for but-3-enoic acid;sulfuric acid?
The canonical SMILES for but-3-enoic acid;sulfuric acid is C=CCC(=O)O.O=S(=O)(O)O.
What is the InChIKey of but-3-enoic acid;sulfuric acid?
The InChIKey is AVDISSYKVHXSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.H2O4S/c1-2-3-4(5)6;1-5(2,3)4/h2H,1,3H2,(H,5,6);(H2,1,2,3,4).
What are the key properties of but-3-enoic acid;sulfuric acid?
but-3-enoic acid;sulfuric acid has a molecular weight of 184.17 g/mol, XLogP of -0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoic acid;sulfuric acid is sourced from PubChem (CID 87373537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).