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1001-75-8 | 4-Methylpent-4-enoic acid
CAS No: 1001-75-8 Catalog No: AG0000XX MDL No:MFCD06208588
Product Description
Catalog Number:
AG0000XX
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
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
Literature
| Title | Journal |
|---|---|
| Diverting non-haem iron catalysed aliphatic C-H hydroxylations towards desaturations. | Nature chemistry 20110301 |
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