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89302-39-6

89302-39-6 | 9-Anthracenecarboxylic acid, 9,10-dihydro-, 1,1-dimethylethyl ester

CAS No: 89302-39-6 Catalog No: AG003YN9 MDL No:

Product Description

Catalog Number:
AG003YN9
Chemical Name:
9-Anthracenecarboxylic acid, 9,10-dihydro-, 1,1-dimethylethyl ester
CAS Number:
89302-39-6
Molecular Formula:
C19H20O2
Molecular Weight:
280.3609
IUPAC Name:
tert-butyl 9,10-dihydroanthracene-9-carboxylate
InChI:
InChI=1S/C19H20O2/c1-19(2,3)21-18(20)17-15-10-6-4-8-13(15)12-14-9-5-7-11-16(14)17/h4-11,17H,12H2,1-3H3
InChI Key:
JROFACYESGEFCN-UHFFFAOYSA-N
SMILES:
O=C(C1c2ccccc2Cc2c1cccc2)OC(C)(C)C

Properties

Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.146g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.367g/mol
Monoisotopic Mass:
280.146g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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