CID 171375610

C26H25O4Sn- — CID 171375610

IUPAC—
SMILESCOc1ccc([O-])c(C(=O)O)c1.[Sn].c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C8H8O4.3C6H6.Sn/c1-12-5-2-3-7(9)6(4-5)8(10)11;3*1-2-4-6-5-3-1;/h2-4,9H,1H3,(H,10,11);3*1-6H;/p-1
InChIKeyCSDZVGPHMUXTJX-UHFFFAOYSA-M
MW520.19 g/mol
LogP5.15
Rot. Bonds2

About CID 171375610

CID 171375610 (PubChem CID 171375610) has the molecular formula C26H25O4Sn- and a molecular weight of 520.19 g/mol.

Molecular Properties

Compound NameCID 171375610
PubChem CID171375610
Molecular FormulaC26H25O4Sn-
Molecular Weight520.19 g/mol
Exact Mass521.08
IUPAC Name—
SMILESCOc1ccc([O-])c(C(=O)O)c1.[Sn].c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C8H8O4.3C6H6.Sn/c1-12-5-2-3-7(9)6(4-5)8(10)11;3*1-2-4-6-5-3-1;/h2-4,9H,1H3,(H,10,11);3*1-6H;/p-1
InChIKeyCSDZVGPHMUXTJX-UHFFFAOYSA-M
XLogP5.15
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.19
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2,4-dimethoxybenzoic acid
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2,4-dimethoxybenzoic acid
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5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
azanium 2-carboxy-4-hydroxyphenolate
CID 54715378
2-amino-5-methoxybenzene-1,3-dicarboxylic acid
CID 66762655
5-methoxy-2-(phenoxycarbonylamino)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 171375610?
The IUPAC name of CID 171375610 (CID 171375610) is not available.
What is the SMILES notation for CID 171375610?
The canonical SMILES for CID 171375610 is COc1ccc([O-])c(C(=O)O)c1.[Sn].c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of CID 171375610?
The InChIKey is CSDZVGPHMUXTJX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8O4.3C6H6.Sn/c1-12-5-2-3-7(9)6(4-5)8(10)11;3*1-2-4-6-5-3-1;/h2-4,9H,1H3,(H,10,11);3*1-6H;/p-1.
What are the key properties of CID 171375610?
CID 171375610 has a molecular weight of 520.19 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171375610 is sourced from PubChem (CID 171375610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).