CID 70191473

C10H10AlO3 — CID 70191473

IUPAC—
SMILESC=CCOc1ccccc1C(=O)O.[Al]
InChIInChI=1S/C10H10O3.Al/c1-2-7-13-9-6-4-3-5-8(9)10(11)12;/h2-6H,1,7H2,(H,11,12);
InChIKeyANAVPTUUNNNEGT-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.57
Rot. Bonds4

About CID 70191473

CID 70191473 (PubChem CID 70191473) has the molecular formula C10H10AlO3 and a molecular weight of 205.17 g/mol.

Molecular Properties

Compound NameCID 70191473
PubChem CID70191473
Molecular FormulaC10H10AlO3
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name—
SMILESC=CCOc1ccccc1C(=O)O.[Al]
InChIInChI=1S/C10H10O3.Al/c1-2-7-13-9-6-4-3-5-8(9)10(11)12;/h2-6H,1,7H2,(H,11,12);
InChIKeyANAVPTUUNNNEGT-UHFFFAOYSA-N
XLogP1.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enoxybenzoic acid;hydrochloride
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2-hydroxy-1-(2-prop-2-enoxyphenyl)ethanone
CID 19910773
2-chloro-1-(2-prop-2-enoxyphenyl)ethanone
CID 12579607
5-fluoro-2-prop-2-enoxybenzoic acid
CID 63674181
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 43357329
2-[2-(prop-2-enoxycarbonylamino)ethoxy]benzoic acid
CID 166000723
phenyl-(2-prop-2-enoxyphenyl)methanethione
CID 14227059
2-[(E)-hex-2-enoxy]benzoic acid
CID 15321685
2-[(2E,4E)-hexa-2,4-dienoxy]benzoic acid
CID 87203148

Frequently Asked Questions

What is the IUPAC name of CID 70191473?
The IUPAC name of CID 70191473 (CID 70191473) is not available.
What is the SMILES notation for CID 70191473?
The canonical SMILES for CID 70191473 is C=CCOc1ccccc1C(=O)O.[Al].
What is the InChIKey of CID 70191473?
The InChIKey is ANAVPTUUNNNEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3.Al/c1-2-7-13-9-6-4-3-5-8(9)10(11)12;/h2-6H,1,7H2,(H,11,12);.
What are the key properties of CID 70191473?
CID 70191473 has a molecular weight of 205.17 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70191473 is sourced from PubChem (CID 70191473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).