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2876-72-4 | 1-Naphthaleneacetic acid, heptyl ester
CAS No: 2876-72-4 Catalog No: AG002WDT MDL No:
Product Description
Catalog Number:
AG002WDT
Chemical Name:
1-Naphthaleneacetic acid, heptyl ester
CAS Number:
2876-72-4
Molecular Formula:
C19H24O2
Molecular Weight:
284.3927
IUPAC Name:
heptyl 2-naphthalen-1-ylacetate
InChI:
InChI=1S/C19H24O2/c1-2-3-4-5-8-14-21-19(20)15-17-12-9-11-16-10-6-7-13-18(16)17/h6-7,9-13H,2-5,8,14-15H2,1H3
InChI Key:
AQOHGCUPDSXLGK-UHFFFAOYSA-N
SMILES:
CCCCCCCOC(=O)Cc1cccc2c1cccc2
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.399g/mol
Monoisotopic Mass:
284.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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