CID 172801156

C9H10NaO2 — CID 172801156

IUPAC—
SMILESCOC(=O)Cc1ccccc1.[Na]
InChIInChI=1S/C9H10O2.Na/c1-11-9(10)7-8-5-3-2-4-6-8;/h2-6H,7H2,1H3;
InChIKeyQWNPYFLLDFMCTB-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.02
Rot. Bonds2

About CID 172801156

CID 172801156 (PubChem CID 172801156) has the molecular formula C9H10NaO2 and a molecular weight of 173.17 g/mol.

Molecular Properties

Compound NameCID 172801156
PubChem CID172801156
Molecular FormulaC9H10NaO2
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name—
SMILESCOC(=O)Cc1ccccc1.[Na]
InChIInChI=1S/C9H10O2.Na/c1-11-9(10)7-8-5-3-2-4-6-8;/h2-6H,7H2,1H3;
InChIKeyQWNPYFLLDFMCTB-UHFFFAOYSA-N
XLogP1.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5314269
methyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate
CID 10826221
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CID 66774988
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methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
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Frequently Asked Questions

What is the IUPAC name of CID 172801156?
The IUPAC name of CID 172801156 (CID 172801156) is not available.
What is the SMILES notation for CID 172801156?
The canonical SMILES for CID 172801156 is COC(=O)Cc1ccccc1.[Na].
What is the InChIKey of CID 172801156?
The InChIKey is QWNPYFLLDFMCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.Na/c1-11-9(10)7-8-5-3-2-4-6-8;/h2-6H,7H2,1H3;.
What are the key properties of CID 172801156?
CID 172801156 has a molecular weight of 173.17 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172801156 is sourced from PubChem (CID 172801156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).