Benzeneheptanoic acid
CAS Registry Number®
40228-90-8
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CAS Name
Benzeneheptanoic acidMolecular Formula
C13H18O2Molecular Mass
206.28Cite this Page
Benzeneheptanoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=40228-90-8 (retrieved ) (CAS RN: 40228-90-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
201 °C @ Press: 14 TorrMelting Point (2)
155-156 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15)
InChIKey
InChIKey=ZVSXKFNTWOIGJI-UHFFFAOYSA-N
SMILES
C(CCCCCC(O)=O)C1=CC=CC=C1
Canonical SMILES
O=C(O)CCCCCCC=1C=CC=CC1
Other Names for this Substance
- Benzeneheptanoic acid
- Heptanoic acid, 7-phenyl-
- 7-Phenylheptanoic acid
