3-(2H-chromen-3-yl)prop-2-enoic acid

C12H10O3 — CID 53405773

IUPAC3-(2H-chromen-3-yl)prop-2-enoic acid
SMILESO=C(O)C=CC1=Cc2ccccc2OC1
InChIInChI=1S/C12H10O3/c13-12(14)6-5-9-7-10-3-1-2-4-11(10)15-8-9/h1-7H,8H2,(H,13,14)
InChIKeyWYQKZHBKUXLNAR-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.10
Rot. Bonds2

About 3-(2H-chromen-3-yl)prop-2-enoic acid

3-(2H-chromen-3-yl)prop-2-enoic acid (PubChem CID 53405773) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-(2H-chromen-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(2H-chromen-3-yl)prop-2-enoic acid
PubChem CID53405773
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name3-(2H-chromen-3-yl)prop-2-enoic acid
SMILESO=C(O)C=CC1=Cc2ccccc2OC1
InChIInChI=1S/C12H10O3/c13-12(14)6-5-9-7-10-3-1-2-4-11(10)15-8-9/h1-7H,8H2,(H,13,14)
InChIKeyWYQKZHBKUXLNAR-UHFFFAOYSA-N
XLogP2.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-chromen-3-yl)prop-2-enoic acid?
The IUPAC name of 3-(2H-chromen-3-yl)prop-2-enoic acid (CID 53405773) is 3-(2H-chromen-3-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(2H-chromen-3-yl)prop-2-enoic acid?
The canonical SMILES for 3-(2H-chromen-3-yl)prop-2-enoic acid is O=C(O)C=CC1=Cc2ccccc2OC1.
What is the InChIKey of 3-(2H-chromen-3-yl)prop-2-enoic acid?
The InChIKey is WYQKZHBKUXLNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c13-12(14)6-5-9-7-10-3-1-2-4-11(10)15-8-9/h1-7H,8H2,(H,13,14).
What are the key properties of 3-(2H-chromen-3-yl)prop-2-enoic acid?
3-(2H-chromen-3-yl)prop-2-enoic acid has a molecular weight of 202.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-chromen-3-yl)prop-2-enoic acid is sourced from PubChem (CID 53405773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).