Home Other Building Blocks 13494-07-0
13494-07-0,MFCD00143076
Catalog No.:AA003ILI
13494-07-0 | 3,5-Dimethyl-1,2-Cyclopentanedione
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1g
in stock  
$31.00   $22.00
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5g
in stock  
$45.00   $32.00
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25g
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$134.00   $94.00
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100g
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$412.00   $288.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003ILI
Chemical Name:
3,5-Dimethyl-1,2-Cyclopentanedione
CAS Number:
13494-07-0
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD00143076
IUPAC Name:
3,5-dimethylcyclopentane-1,2-dione
InChI:
InChI=1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3
InChI Key:
MIDXCONKKJTLDX-UHFFFAOYSA-N
SMILES:
CC1CC(C(=O)C1=O)C
FEMA Number:
3269
Properties
Computed Properties
 
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
3,5-Dimethyl-1,2-cyclopentanedione 
13494-07-0 
caramel dione 
CARAMEL COLOR A 
AC1L1VMK 
DSSTox_CID_27660 
DSSTox_RID_82483 
DSSTox_GSID_47660 
KSC178E0N 
SCHEMBL873396 
Jsp002126 
CHEMBL3183686 
3,5-Dimethyl-1,2-cyclopentadione 
DTXSID0047660 
CTK0H8206 
FEMA 3269 
KS-00000Z6F 
Tox21_302565 
MFCD00143076 
3,5-dimethyl-cyclopentane-1,2-dione 
AKOS015898994 
FCH1117533 
LS-2679 
3,5-Dimethylcyclopentane-1,2-dione 
TRA0070032 
NCGC00256668-01 
8028-89-5 
AN-18443 
AB1006129 
CAS-13494-07-0 
RT-004629 
3,5-Dimethyl-1,2-cyclopentadione, >=97% 
2-Hydroxy-3,5-dimethyl-2-cyclopenten-1-one, 9CI 
I14-12007 
1,2-Cyclopentanedione, 3,5-dimethyl- 
null 
Caramel (color) 
CARAMEL COLOR 
UNII-DV18V4XD6W 
C7H10O2 
CID61634 
C7-H10-O2 
ZINC01850688 
MIDXCONKKJTLDX-UHFFFAOYSA-N 
W-108275 
FEMA No. 3269 
Caramel 
EINECS 236-811-3 
Literature
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