CID 175809990

C8H10NaO — CID 175809990

IUPAC—
SMILESCc1cc(C)cc(O)c1.[Na]
InChIInChI=1S/C8H10O.Na/c1-6-3-7(2)5-8(9)4-6;/h3-5,9H,1-2H3;
InChIKeyBTGNSVQWVAUYOZ-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.63
Rot. Bonds

About CID 175809990

CID 175809990 (PubChem CID 175809990) has the molecular formula C8H10NaO and a molecular weight of 145.16 g/mol.

Molecular Properties

Compound NameCID 175809990
PubChem CID175809990
Molecular FormulaC8H10NaO
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name—
SMILESCc1cc(C)cc(O)c1.[Na]
InChIInChI=1S/C8H10O.Na/c1-6-3-7(2)5-8(9)4-6;/h3-5,9H,1-2H3;
InChIKeyBTGNSVQWVAUYOZ-UHFFFAOYSA-N
XLogP1.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 175809990?
The IUPAC name of CID 175809990 (CID 175809990) is not available.
What is the SMILES notation for CID 175809990?
The canonical SMILES for CID 175809990 is Cc1cc(C)cc(O)c1.[Na].
What is the InChIKey of CID 175809990?
The InChIKey is BTGNSVQWVAUYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.Na/c1-6-3-7(2)5-8(9)4-6;/h3-5,9H,1-2H3;.
What are the key properties of CID 175809990?
CID 175809990 has a molecular weight of 145.16 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175809990 is sourced from PubChem (CID 175809990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).