Home Other Building Blocks 1001-75-8
1001-75-8,MFCD06208588
Catalog No.:AA0000V5
1001-75-8 | 4-Methylpent-4-enoic acid
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250mg
97%
in stock  
$80.00
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1g
97%
in stock  
$267.00
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5g
97%
in stock  
$800.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000V5
Chemical Name:
4-Methylpent-4-enoic acid
CAS Number:
1001-75-8
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD06208588
IUPAC Name:
4-methylpent-4-enoic acid
InChI:
InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h1,3-4H2,2H3,(H,7,8)
InChI Key:
HVHBTFZQLHOFHA-UHFFFAOYSA-N
SMILES:
CC(=C)CCC(=O)O
Properties
Computed Properties
 
Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
4-Methylpent-4-enoic acid 
1001-75-8 
4-Methylpent-4-enoic acid, 97% 
0114AA 
ANW-64536 
MFCD06208588 
ZINC14592840 
AKOS006291975 
AJ-64984 
AS-41332 
SC-31541 
AB0046987 
4-methyl-4-pentenoic acid 
TC-153281 
ST24043926 
C6H10O2 
CID5282648 
FA(6:1) 
2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-imidazo[4,5-b]pyridine 
4-Pentenoic acid, 4-methyl- 
LMFA01020098 
AC1NR0HF 
4-methyl-pent-4-enoic acid 
SCHEMBL75667 
CTK0G9014 
DTXSID00415231 
Literature

Title: Diverting non-haem iron catalysed aliphatic C-H hydroxylations towards desaturations.

Journal: Nature chemistry 20110301

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