calcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid

C7H10CaO6 — CID 175078165

IUPACcalcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid
SMILESC=CC(=O)O.O=C(O)/C=C\C(=O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C4H4O4.C3H4O2.Ca.2H/c5-3(6)1-2-4(7)8;1-2-3(4)5;;;/h1-2H,(H,5,6)(H,7,8);2H,1H2,(H,4,5);;;/q;;+2;2*-1/b2-1-;;;;
InChIKeyHIVGNAQWDYFVDP-SQDRRJMKSA-N
MW230.23 g/mol
LogP-0.19
Rot. Bonds3

About calcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid

calcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid (PubChem CID 175078165) has the molecular formula C7H10CaO6 and a molecular weight of 230.23 g/mol. Its IUPAC name is calcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid.

Molecular Properties

Compound Namecalcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid
PubChem CID175078165
Molecular FormulaC7H10CaO6
Molecular Weight230.23 g/mol
Exact Mass230.01
IUPAC Namecalcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid
SMILESC=CC(=O)O.O=C(O)/C=C\C(=O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C4H4O4.C3H4O2.Ca.2H/c5-3(6)1-2-4(7)8;1-2-3(4)5;;;/h1-2H,(H,5,6)(H,7,8);2H,1H2,(H,4,5);;;/q;;+2;2*-1/b2-1-;;;;
InChIKeyHIVGNAQWDYFVDP-SQDRRJMKSA-N
XLogP-0.19
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

calcium;(Z)-but-2-enedioic acid;hydride;prop-1-ene
CID 174748492
disodium;but-2-enedioic acid;hydride;prop-2-enamide;prop-2-enoic acid
CID 173333489
calcium;prop-2-enoic acid;dichloride
CID 172857747
(E)-but-2-enedioic acid;formaldehyde
CID 88669172
prop-2-enoic acid;hydrochloride
CID 22354205
bis(prop-2-enoic acid);hydrochloride
CID 88811054
iron(2+);prop-2-enoic acid
CID 10290804
CID 87061462
CID 87061462
cerium;bis(prop-2-enoic acid)
CID 169316659
prop-2-enoic acid;hexahydrate
CID 172682107
azane;prop-2-enoic acid
CID 173158019
lutetium;tris(prop-2-enoic acid)
CID 168865611

Frequently Asked Questions

What is the IUPAC name of calcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid?
The IUPAC name of calcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid (CID 175078165) is calcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid.
What is the SMILES notation for calcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid?
The canonical SMILES for calcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid is C=CC(=O)O.O=C(O)/C=C\C(=O)O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid?
The InChIKey is HIVGNAQWDYFVDP-SQDRRJMKSA-N. The full InChI is InChI=1S/C4H4O4.C3H4O2.Ca.2H/c5-3(6)1-2-4(7)8;1-2-3(4)5;;;/h1-2H,(H,5,6)(H,7,8);2H,1H2,(H,4,5);;;/q;;+2;2*-1/b2-1-;;;;.
What are the key properties of calcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid?
calcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid has a molecular weight of 230.23 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid is sourced from PubChem (CID 175078165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).