hydrogen sulfite;prop-2-enoic acid

C3H5O5S- — CID 90273216

IUPAChydrogen sulfite;prop-2-enoic acid
SMILESC=CC(=O)O.O=S([O-])O
InChIInChI=1S/C3H4O2.H2O3S/c1-2-3(4)5;1-4(2)3/h2H,1H2,(H,4,5);(H2,1,2,3)/p-1
InChIKeyFVOLMNODIPZGKB-UHFFFAOYSA-M
MW153.13 g/mol
LogP-0.40
Rot. Bonds1

About hydrogen sulfite;prop-2-enoic acid

hydrogen sulfite;prop-2-enoic acid (PubChem CID 90273216) has the molecular formula C3H5O5S- and a molecular weight of 153.13 g/mol. Its IUPAC name is hydrogen sulfite;prop-2-enoic acid.

Molecular Properties

Compound Namehydrogen sulfite;prop-2-enoic acid
PubChem CID90273216
Molecular FormulaC3H5O5S-
Molecular Weight153.13 g/mol
Exact Mass152.99
IUPAC Namehydrogen sulfite;prop-2-enoic acid
SMILESC=CC(=O)O.O=S([O-])O
InChIInChI=1S/C3H4O2.H2O3S/c1-2-3(4)5;1-4(2)3/h2H,1H2,(H,4,5);(H2,1,2,3)/p-1
InChIKeyFVOLMNODIPZGKB-UHFFFAOYSA-M
XLogP-0.40
TPSA97.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

ethenesulfinate;prop-2-enoic acid
CID 174788778
lithium;prop-2-enoate;prop-2-enoic acid
CID 90256429
prop-2-enoic acid;pentahydrobromide
CID 172798031
prop-2-enoic acid;hydrochloride
CID 22354205
CID 87061462
CID 87061462
bis(prop-2-enoic acid);hydrochloride
CID 88811054
cerium;bis(prop-2-enoic acid)
CID 169316659
iron(2+);prop-2-enoic acid
CID 10290804
prop-2-enoic acid;hexahydrate
CID 172682107
azane;prop-2-enoic acid
CID 173158019
lutetium;tris(prop-2-enoic acid)
CID 168865611
Acrylic acid potassium salt
CID 87124626

Frequently Asked Questions

What is the IUPAC name of hydrogen sulfite;prop-2-enoic acid?
The IUPAC name of hydrogen sulfite;prop-2-enoic acid (CID 90273216) is hydrogen sulfite;prop-2-enoic acid.
What is the SMILES notation for hydrogen sulfite;prop-2-enoic acid?
The canonical SMILES for hydrogen sulfite;prop-2-enoic acid is C=CC(=O)O.O=S([O-])O.
What is the InChIKey of hydrogen sulfite;prop-2-enoic acid?
The InChIKey is FVOLMNODIPZGKB-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4O2.H2O3S/c1-2-3(4)5;1-4(2)3/h2H,1H2,(H,4,5);(H2,1,2,3)/p-1.
What are the key properties of hydrogen sulfite;prop-2-enoic acid?
hydrogen sulfite;prop-2-enoic acid has a molecular weight of 153.13 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfite;prop-2-enoic acid is sourced from PubChem (CID 90273216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).