benzoic acid;chromium

C14H12CrO4 — CID 139063467

IUPACbenzoic acid;chromium
SMILESO=C(O)c1ccccc1.O=C(O)c1ccccc1.[Cr]
InChIInChI=1S/2C7H6O2.Cr/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);
InChIKeyWVUZCYHIRAQIAP-UHFFFAOYSA-N
MW296.24 g/mol
LogP2.77
Rot. Bonds2

About benzoic acid;chromium

benzoic acid;chromium (PubChem CID 139063467) has the molecular formula C14H12CrO4 and a molecular weight of 296.24 g/mol. Its IUPAC name is benzoic acid;chromium.

Molecular Properties

Compound Namebenzoic acid;chromium
PubChem CID139063467
Molecular FormulaC14H12CrO4
Molecular Weight296.24 g/mol
Exact Mass296.01
IUPAC Namebenzoic acid;chromium
SMILESO=C(O)c1ccccc1.O=C(O)c1ccccc1.[Cr]
InChIInChI=1S/2C7H6O2.Cr/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);
InChIKeyWVUZCYHIRAQIAP-UHFFFAOYSA-N
XLogP2.77
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;chromium?
The IUPAC name of benzoic acid;chromium (CID 139063467) is benzoic acid;chromium.
What is the SMILES notation for benzoic acid;chromium?
The canonical SMILES for benzoic acid;chromium is O=C(O)c1ccccc1.O=C(O)c1ccccc1.[Cr].
What is the InChIKey of benzoic acid;chromium?
The InChIKey is WVUZCYHIRAQIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O2.Cr/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);.
What are the key properties of benzoic acid;chromium?
benzoic acid;chromium has a molecular weight of 296.24 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;chromium is sourced from PubChem (CID 139063467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).