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15971-77-4

15971-77-4 | Bicyclo[3.2.0]hepta-3,6-dien-2-one, 1,4,5,6,7-pentamethyl-

CAS No: 15971-77-4 Catalog No: AG001RD3 MDL No:

Product Description

Catalog Number:
AG001RD3
Chemical Name:
Bicyclo[3.2.0]hepta-3,6-dien-2-one, 1,4,5,6,7-pentamethyl-
CAS Number:
15971-77-4
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
1,4,5,6,7-pentamethylbicyclo[3.2.0]hepta-3,6-dien-2-one
InChI:
InChI=1S/C12H16O/c1-7-6-10(13)12(5)9(3)8(2)11(7,12)4/h6H,1-5H3
InChI Key:
FZNJZNVVPAGUNB-UHFFFAOYSA-N
SMILES:
O=C1C=C(C2(C1(C)C(=C2C)C)C)C
NSC Number:
125874

Properties

Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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