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116171-16-5 | Cyclohexaneacetic acid, 1-[2-(6-methyl-1-naphthalenyl)-2-oxoethyl]-
CAS No: 116171-16-5 Catalog No: AG000BSS MDL No:
Product Description
Catalog Number:
AG000BSS
Chemical Name:
Cyclohexaneacetic acid, 1-[2-(6-methyl-1-naphthalenyl)-2-oxoethyl]-
CAS Number:
116171-16-5
Molecular Formula:
C21H24O3
Molecular Weight:
324.4135
IUPAC Name:
2-[1-[2-(6-methylnaphthalen-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
InChI:
InChI=1S/C21H24O3/c1-15-8-9-17-16(12-15)6-5-7-18(17)19(22)13-21(14-20(23)24)10-3-2-4-11-21/h5-9,12H,2-4,10-11,13-14H2,1H3,(H,23,24)
InChI Key:
FLURSEKLPDDBPF-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(CCCCC1)CC(=O)c1cccc2c1ccc(c2)C
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.173g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.42g/mol
Monoisotopic Mass:
324.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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