Propanal, 2-(phenylmethoxy)-

HCID 562650

Notes Reactions

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Basic information

CAS: 53346-05-7
Standard SMILES: CC(C=O)OCc1ccccc1
InChIKey: LRRGYHJHSLSATF-UHFFFAOYSA-N
Molecular formula: C10H12O2
Average molar mass: 164.2 g/mol
Monoisotopic mass: 164.08372962

Names & identifiers

Preferred name: Propanal, 2-(phenylmethoxy)-
IUPAC: 2-phenylmethoxypropanal

Names & synonyms

2-(Benzyloxy)propanalPropanal, 2-(phenylmethoxy)-53346-05-72-benzyloxypropanal2-(Benzyloxy)propanal #2-(Phenylmethoxy)propanalEAL829LG92SCHEMBL4588952SCHEMBL6027334SCHEMBL6141169SCHEMBL27543719DTXSID50340221

Show more names

LRRGYHJHSLSATF-UHFFFAOYSA-N(+/-)-2-(Benzyloxy)propionaldehyde2-(Phenylmethoxy)propanal, (+/-)-SB38855

Database identifiers

CAS: 53346-05-7
PubChem CID: 562650
DTXSID: DTXSID50340221
UNII: EAL829LG92
Nikkaji: J428.861K

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 128

Related reactions

4 records

New reaction record

HRID 93773As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 683367As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 933200As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1131299As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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