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6738-27-8 | 4-ethylidene-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one
CAS No: 6738-27-8 Catalog No: AG0038HZ MDL No:
Product Description
Catalog Number:
AG0038HZ
Chemical Name:
4-ethylidene-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one
CAS Number:
6738-27-8
Molecular Formula:
C16H24O
Molecular Weight:
232.3612
IUPAC Name:
2,6-ditert-butyl-4-ethylidenecyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C16H24O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h8-10H,1-7H3
InChI Key:
KEJPWCIDZLVYDJ-UHFFFAOYSA-N
SMILES:
CC=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
EC Number:
229-795-4
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.183g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.367g/mol
Monoisotopic Mass:
232.183g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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