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USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $100.00-150.00 / Kilogram
USD $2.00-10.00 / Kilogram
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identification and related records
【name】
2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl 2-hydroxybenzoate
【iupac name】
2-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)ethyl 2-hydroxybenzoate
【cas registry number】
5330-62-1
【synonyms】
2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl 2-hydroxybenzoate
2-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)ethyl 2-hydroxybenzoate
5330-62-1
nsc2501
ac1l58br
ac1q66qc
nsc-2501
ar-1c8211
2-hydroxybenzoic acid, 2-(2-norpinyl)ethyl ester
【molecular formula】
c18h24o3 (products with the same molecular formula)
【molecular weight】
288.3814
【inchi】
inchi=1/c18h24o3/c1-18(2)13-8-7-12(15(18)11-13)9-10-21-17(20)14-5-3-4-6-16(14)19/h3-6,12-13,15,19h,7-11h2,1-2h3
【canonical smiles】
cc1(c2ccc(c1c2)ccoc(=o)c3=cc=cc=c3o)c
【mol file】
5330-62-1.mol
chemical and physical properties
【density】
1.101g/cm3
【boiling point】
378.5°c at 760 mmhg
【refractive index】
1.54
【flash point】
148.5°c
【computed properties】
molecular weight:288.38136 [g/mol]
molecular formula:c18h24o3
xlogp3-aa:5.5
h-bond donor:1
h-bond acceptor:3
rotatable bond count:5
tautomer count:4
exact mass:288.172545
monoisotopic mass:288.172545
topological polar surface area:46.5
heavy atom count:21
formal charge:0
complexity:390
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:3
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:1
feature 3d donor count:1
feature 3d hydrophobe count:1
feature 3d ring count:2
effective rotor count:6
conformer sampling rmsd:0.8
cid conformer count:380