Home Carbonyls 2-(((octahydro-1H-4,7-Methanoinden-5-yl)oxy)carbonyl)benzoic acid

2-(((octahydro-1H-4,7-Methanoinden-5-yl)oxy)carbonyl)benzoic acid

CAS No.:
109821-56-9
Catalog Number:
AG008TBG
Molecular Formula:
C18H20O4
Molecular Weight:
300.3490
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Product Description
Catalog Number:
AG008TBG
Chemical Name:
2-(((octahydro-1H-4,7-Methanoinden-5-yl)oxy)carbonyl)benzoic acid
CAS Number:
109821-56-9
Molecular Formula:
C18H20O4
Molecular Weight:
300.3490
MDL Number:
MFCD22571239
IUPAC Name:
2-(8-tricyclo[5.2.1.02,6]decanyloxycarbonyl)benzoic acid
InChI:
InChI=1S/C18H20O4/c19-17(20)13-4-1-2-5-14(13)18(21)22-16-9-10-8-15(16)12-7-3-6-11(10)12/h1-2,4-5,10-12,15-16H,3,6-9H2,(H,19,20)
InChI Key:
DILXHIQZGJKWQB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)OC1CC2CC1C1C2CCC1
Properties
Complexity:
474  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.136g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
300.354g/mol
Monoisotopic Mass:
300.136g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
5  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties