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307958-69-6 | Cyclohexanecarboxylic acid, 2,4,6-trimethylphenyl ester
CAS No: 307958-69-6 Catalog No: AG0031B8 MDL No:
Product Description
Catalog Number:
AG0031B8
Chemical Name:
Cyclohexanecarboxylic acid, 2,4,6-trimethylphenyl ester
CAS Number:
307958-69-6
Molecular Formula:
C16H22O2
Molecular Weight:
246.3447
IUPAC Name:
(2,4,6-trimethylphenyl) cyclohexanecarboxylate
InChI:
InChI=1S/C16H22O2/c1-11-9-12(2)15(13(3)10-11)18-16(17)14-7-5-4-6-8-14/h9-10,14H,4-8H2,1-3H3
InChI Key:
BHXJZAIDXRSSJP-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1)Oc1c(C)cc(cc1C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.35g/mol
Monoisotopic Mass:
246.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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