CID 70480259

C8H8CaO4 — CID 70480259

IUPAC—
SMILESO=C(O)C(O)c1ccc(O)cc1.[Ca]
InChIInChI=1S/C8H8O4.Ca/c9-6-3-1-5(2-4-6)7(10)8(11)12;/h1-4,7,9-10H,(H,11,12);
InChIKeyNJWNVTWSNLVNAB-UHFFFAOYSA-N
MW208.23 g/mol
LogP0.13
Rot. Bonds2

About CID 70480259

CID 70480259 (PubChem CID 70480259) has the molecular formula C8H8CaO4 and a molecular weight of 208.23 g/mol.

Molecular Properties

Compound NameCID 70480259
PubChem CID70480259
Molecular FormulaC8H8CaO4
Molecular Weight208.23 g/mol
Exact Mass208.00
IUPAC Name—
SMILESO=C(O)C(O)c1ccc(O)cc1.[Ca]
InChIInChI=1S/C8H8O4.Ca/c9-6-3-1-5(2-4-6)7(10)8(11)12;/h1-4,7,9-10H,(H,11,12);
InChIKeyNJWNVTWSNLVNAB-UHFFFAOYSA-N
XLogP0.13
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
(2R)-2-hydroxy-2-phenylacetic acid;rhodium
CID 174857137
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
(2R)-2-hydroxy-2-phenylacetic acid;zinc
CID 57473641
2-hydroxy-1,2-bis(4-hydroxyphenyl)ethanone
CID 15792828
barium(2+);hydride;2-hydroxy-2-phenylacetic acid
CID 172999796
2-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid
CID 23345991

Frequently Asked Questions

What is the IUPAC name of CID 70480259?
The IUPAC name of CID 70480259 (CID 70480259) is not available.
What is the SMILES notation for CID 70480259?
The canonical SMILES for CID 70480259 is O=C(O)C(O)c1ccc(O)cc1.[Ca].
What is the InChIKey of CID 70480259?
The InChIKey is NJWNVTWSNLVNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4.Ca/c9-6-3-1-5(2-4-6)7(10)8(11)12;/h1-4,7,9-10H,(H,11,12);.
What are the key properties of CID 70480259?
CID 70480259 has a molecular weight of 208.23 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70480259 is sourced from PubChem (CID 70480259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).