1-Naphthylmethyl acetate
Basic information
- CAS
13098-88-9- Standard SMILES
CC(=O)OCc1cccc2ccccc12- InChIKey
DLZJIFRRPVEMAK-UHFFFAOYSA-N- Molecular formula
- C13H12O2
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.08372962
Names & identifiers
- Preferred name
- 1-Naphthylmethyl acetate
- IUPAC
- naphthalen-1-ylmethyl acetate
- English name
- Acetic acid (1-naphtyl)methyl ester
- Molecular weight
- 0
Names & synonyms
1-naphthylmethyl acetate1-Naphthalenemethanol, acetate13098-88-9NSC 67875NSC-67875UNII-Z499812837AI3-05978DTXSID101568251-(ACETOXYMETHYL)NAPHTHALENEZ499812837RefChem:76547DTXCID8079316
Show more names
1-Naphthalenemethanol acetate1-Naphthalenemethanol, 1-acetateAcetic acid (1-naphtylmethyl) ester
(naphthalen-1-yl)methyl acetateAcetic acid (1-naphtyl)methyl esternaphthalen-1-ylmethyl acetate1-naphthylmethylacetateSCHEMBL487420SCHEMBL32494221-Naphthalene-methanol, acetateNSC67875
Database identifiers
- CAS
13098-88-9- PubChem CID
- 96329
- DTXSID
DTXSID10156825- UNII
- Z499812837
- Nikkaji
- J348.114J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- FDA UNII
- 499812837 · Z499812837
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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