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25774-37-2

25774-37-2 | 4-tert-Butyl-1-cyclohexanecarboxylic anhydride

CAS No: 25774-37-2 Catalog No: AG01FA64 MDL No:MFCD18379762

Product Description

Catalog Number:
AG01FA64
Chemical Name:
4-tert-Butyl-1-cyclohexanecarboxylic anhydride
CAS Number:
25774-37-2
Molecular Formula:
C22H38O3
Molecular Weight:
350.5353
MDL Number:
MFCD18379762
IUPAC Name:
(4-tert-butylcyclohexanecarbonyl) 4-tert-butylcyclohexane-1-carboxylate
InChI:
InChI=1S/C22H38O3/c1-21(2,3)17-11-7-15(8-12-17)19(23)25-20(24)16-9-13-18(14-10-16)22(4,5)6/h15-18H,7-14H2,1-6H3
InChI Key:
VEYUWLYNXXBCSH-UHFFFAOYSA-N
SMILES:
O=C(C1CCC(CC1)C(C)(C)C)OC(=O)C1CCC(CC1)C(C)(C)C

Properties

Complexity:
421  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.282g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.543g/mol
Monoisotopic Mass:
350.282g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9  

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