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CID 175363

HCID 175363
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
72987-57-6
Standard SMILES
CC(C)OC(=O)C=Cc1ccco1
InChIKey
ASFDSPFXJFSSEX-UHFFFAOYSA-N
Molecular formula
C10H12O3
Average molar mass
180.2 g/mol
Monoisotopic mass
180.07864424

Names & identifiers

Preferred name
CID 175363
IUPAC
propan-2-yl 3-(furan-2-yl)prop-2-enoate

Names & synonyms

SCHEMBL23175323AKOS017265315

Database identifiers

CAS
72987-57-6
PubChem CID
175363
DTXSID
DTXSID2072700

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
39.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
13
Formal charge
0
Complexity
196

Related reactions

1 records
New reaction record
HRID 831100 reaction equation
HRID 831100As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes