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2876-69-9 | 2-Naphthaleneacetic acid, propyl ester
CAS No: 2876-69-9 Catalog No: AG002WDV MDL No:
Product Description
Catalog Number:
AG002WDV
Chemical Name:
2-Naphthaleneacetic acid, propyl ester
CAS Number:
2876-69-9
Molecular Formula:
C15H16O2
Molecular Weight:
228.2863
IUPAC Name:
propyl 2-naphthalen-2-ylacetate
InChI:
InChI=1S/C15H16O2/c1-2-9-17-15(16)11-12-7-8-13-5-3-4-6-14(13)10-12/h3-8,10H,2,9,11H2,1H3
InChI Key:
QXZFVUNAGXVEGK-UHFFFAOYSA-N
SMILES:
CCCOC(=O)Cc1ccc2c(c1)cccc2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.291g/mol
Monoisotopic Mass:
228.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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