Home Carboxys 15-methyltetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid

15-methyltetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid

CAS No.:
13294-87-6
Catalog Number:
AG01B4TS
Molecular Formula:
C18H16O2
Molecular Weight:
264.3184
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Product Description
Catalog Number:
AG01B4TS
Chemical Name:
15-methyltetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CAS Number:
13294-87-6
Molecular Formula:
C18H16O2
Molecular Weight:
264.3184
MDL Number:
MFCD29991793
IUPAC Name:
15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
InChI:
InChI=1S/C18H16O2/c1-18(17(19)20)10-15-11-6-2-4-8-13(11)16(18)14-9-5-3-7-12(14)15/h2-9,15-16H,10H2,1H3,(H,19,20)
InChI Key:
NRUFZVGNVQBKSX-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)CC2c3c(C1c1c2cccc1)cccc3
Properties
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.115g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
264.324g/mol
Monoisotopic Mass:
264.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties