carbonic acid;ethene;hydrochloride

C3H7ClO3 — CID 87649184

IUPACcarbonic acid;ethene;hydrochloride
SMILESC=C.Cl.O=C(O)O
InChIInChI=1S/C2H4.CH2O3.ClH/c1-2;2-1(3)4;/h1-2H2;(H2,2,3,4);1H
InChIKeyAFJUGENXFJZASS-UHFFFAOYSA-N
MW126.54 g/mol
LogP1.45
Rot. Bonds

About carbonic acid;ethene;hydrochloride

carbonic acid;ethene;hydrochloride (PubChem CID 87649184) has the molecular formula C3H7ClO3 and a molecular weight of 126.54 g/mol. Its IUPAC name is carbonic acid;ethene;hydrochloride.

Molecular Properties

Compound Namecarbonic acid;ethene;hydrochloride
PubChem CID87649184
Molecular FormulaC3H7ClO3
Molecular Weight126.54 g/mol
Exact Mass126.01
IUPAC Namecarbonic acid;ethene;hydrochloride
SMILESC=C.Cl.O=C(O)O
InChIInChI=1S/C2H4.CH2O3.ClH/c1-2;2-1(3)4;/h1-2H2;(H2,2,3,4);1H
InChIKeyAFJUGENXFJZASS-UHFFFAOYSA-N
XLogP1.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.54
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 173309520
calcium;carbonic acid;hydride;dihydrochloride
CID 174815432
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CID 174435305
carbonic acid;hydrogen peroxide;yttrium
CID 174687226
carbonic acid;dihydrofluoride
CID 172764528
carbonic acid;praseodymium
CID 131881617
carbonic acid, potassium salt
CID 45051578
azane;carbonic acid
CID 173237446
carbonic acid;ruthenium
CID 87059075

Frequently Asked Questions

What is the IUPAC name of carbonic acid;ethene;hydrochloride?
The IUPAC name of carbonic acid;ethene;hydrochloride (CID 87649184) is carbonic acid;ethene;hydrochloride.
What is the SMILES notation for carbonic acid;ethene;hydrochloride?
The canonical SMILES for carbonic acid;ethene;hydrochloride is C=C.Cl.O=C(O)O.
What is the InChIKey of carbonic acid;ethene;hydrochloride?
The InChIKey is AFJUGENXFJZASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4.CH2O3.ClH/c1-2;2-1(3)4;/h1-2H2;(H2,2,3,4);1H.
What are the key properties of carbonic acid;ethene;hydrochloride?
carbonic acid;ethene;hydrochloride has a molecular weight of 126.54 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;ethene;hydrochloride is sourced from PubChem (CID 87649184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).