CID 88687062

C9H13GeO5 — CID 88687062

IUPAC—
SMILESO.O.O.O=C(O)/C=C/c1ccccc1[Ge]
InChIInChI=1S/C9H7GeO2.3H2O/c10-8-4-2-1-3-7(8)5-6-9(11)12;;;/h1-6H,(H,11,12);3*1H2/b6-5+;;;
InChIKeyUFJVCIYIEZXXGM-FWMLTEASSA-N
MW273.81 g/mol
LogP-1.90
Rot. Bonds2

About CID 88687062

CID 88687062 (PubChem CID 88687062) has the molecular formula C9H13GeO5 and a molecular weight of 273.81 g/mol.

Molecular Properties

Compound NameCID 88687062
PubChem CID88687062
Molecular FormulaC9H13GeO5
Molecular Weight273.81 g/mol
Exact Mass275.00
IUPAC Name—
SMILESO.O.O.O=C(O)/C=C/c1ccccc1[Ge]
InChIInChI=1S/C9H7GeO2.3H2O/c10-8-4-2-1-3-7(8)5-6-9(11)12;;;/h1-6H,(H,11,12);3*1H2/b6-5+;;;
InChIKeyUFJVCIYIEZXXGM-FWMLTEASSA-N
XLogP-1.90
TPSA131.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 5-1.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid
CID 70472676
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642
(Z)-3-(2-phenylphenyl)prop-2-enoic acid
CID 19261531
(E)-3-(2-ethylphenyl)prop-2-enoic acid
CID 6198622
3-(2-thiocyanatophenyl)prop-2-enoic acid
CID 89422710
(E)-3-(2-thiocyanatophenyl)prop-2-enoic acid
CID 131231760
3-(2-acetylphenyl)prop-2-enoic acid;hydrochloride
CID 174578374
(E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid
CID 68869387
4-[2-[(E)-2-carboxyethenyl]phenyl]but-3-enoic acid
CID 170484079
3-[2-(bromomethyl)phenyl]prop-2-enoic acid
CID 54011364

Frequently Asked Questions

What is the IUPAC name of CID 88687062?
The IUPAC name of CID 88687062 (CID 88687062) is not available.
What is the SMILES notation for CID 88687062?
The canonical SMILES for CID 88687062 is O.O.O.O=C(O)/C=C/c1ccccc1[Ge].
What is the InChIKey of CID 88687062?
The InChIKey is UFJVCIYIEZXXGM-FWMLTEASSA-N. The full InChI is InChI=1S/C9H7GeO2.3H2O/c10-8-4-2-1-3-7(8)5-6-9(11)12;;;/h1-6H,(H,11,12);3*1H2/b6-5+;;;.
What are the key properties of CID 88687062?
CID 88687062 has a molecular weight of 273.81 g/mol, XLogP of -1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88687062 is sourced from PubChem (CID 88687062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).