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3-Methoxycarbonylmethylchroman

HCID 14838413
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)CC1COc2ccccc2C1
InChIKey
UKIZBVWAXZHEPD-UHFFFAOYSA-N
Molecular formula
C12H14O3
Average molar mass
206.24 g/mol

Names & identifiers

Preferred name
3-Methoxycarbonylmethylchroman
IUPAC
methyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate

Names & synonyms

3-methoxycarbonylmethylchromanSCHEMBL9692869UKIZBVWAXZHEPD-UHFFFAOYSA-N

Database identifiers

PubChem CID
14838413

Properties

Computed structural properties

XLogP
2
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
227

Related reactions

5 records
New reaction record
HRID 1032391 reaction equation
HRID 1032391As productuspto-grants-1990_09
HRID 1032392 reaction equation
HRID 1032392As reactantuspto-grants-1990_09
HRID 1196010 reaction equation
HRID 1196010As productuspto-grants-1992_05
HRID 1196011 reaction equation
HRID 1196011As reactantuspto-grants-1992_05
HRID 2123987 reaction equation
HRID 2123987As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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