| CAS Number | 16563-45-4 |
| Catalog Number | AG001WA5(AGN-PC-0NBQKS) |
| Chemical Name | 4-(1-Naphthalenyloxy)butanoic acid |
| IUPAC Name | 4-naphthalen-1-yloxybutanoic acid |
| InChI | InChI=1S/C14H14O3/c15-14(16)9-4-10-17-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H,15,16) |
| InChI Key | VZLRADDUUOXYSL-UHFFFAOYSA-N |
| MDL Number | MFCD02295742 |
| Molecular Formula | C14H14O3 |
| Molecular Weight | 230.2592 |
| SMILES | OC(CCCOC1=C2C(C=CC=C2)=CC=C1)=O |
| Synonyms | 16563-45-4,
4-(1-naphthyloxy)butanoic acid,
Butanoic acid, 4-(1-naphthalenyloxy)-,
4-(naphthalen-1-yloxy)butanoic acid,
4-(1-naphthyloxy)butyric acid,
AC1Q75J4,
SCHEMBL5488944,
CTK0A8989,
DTXSID50446116,
ZINC19269604,
AKOS000152354,
MCULE-6873059720,
NE27894,
EN300-41138,
Z415735924,
4-naphthalen-1-yloxybutanoic Acid,
CID10857269,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.263g/mol |
| Monoisotopic Mass | 230.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number