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Home > Other Heterocycles > 7462-24-0
7462-24-0 | Benzoic acid,2-hydroxy-, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester
CAS No: 7462-24-0 Catalog No: AG005J2D MDL No:
Product Description
Catalog Number:
AG005J2D
Chemical Name:
Benzoic acid,2-hydroxy-, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester
CAS Number:
7462-24-0
Molecular Formula:
C17H22O3
Molecular Weight:
274.3548
IUPAC Name:
(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-hydroxybenzoate
InChI:
InChI=1S/C17H22O3/c1-16(2)11-8-9-17(3,10-11)15(16)20-14(19)12-6-4-5-7-13(12)18/h4-7,11,15,18H,8-10H2,1-3H3
InChI Key:
XQPZKMWBRDTOGK-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1O)OC1C2(C)CCC(C1(C)C)C2
EC Number:
231-251-6
NSC Number:
404187
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.157g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.36g/mol
Monoisotopic Mass:
274.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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