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2876-75-7 | 1-Naphthaleneacetic acid, butyl ester
CAS No: 2876-75-7 Catalog No: AG002WEX MDL No:
Product Description
Catalog Number:
AG002WEX
Chemical Name:
1-Naphthaleneacetic acid, butyl ester
CAS Number:
2876-75-7
Molecular Formula:
C16H18O2
Molecular Weight:
242.3129
IUPAC Name:
butyl 2-naphthalen-1-ylacetate
InChI:
InChI=1S/C16H18O2/c1-2-3-11-18-16(17)12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,2-3,11-12H2,1H3
InChI Key:
ONFNCARYSQWBPI-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)Cc1cccc2c1cccc2
NSC Number:
44529
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.318g/mol
Monoisotopic Mass:
242.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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