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29671-29-2 | Pentanoic acid, 2-chloro-4-methyl-
CAS No: 29671-29-2 Catalog No: AG002Z2C MDL No:MFCD19300978
Product Description
Catalog Number:
AG002Z2C
Chemical Name:
Pentanoic acid, 2-chloro-4-methyl-
CAS Number:
29671-29-2
Molecular Formula:
C6H11ClO2
Molecular Weight:
150.6033
MDL Number:
MFCD19300978
IUPAC Name:
2-chloro-4-methylpentanoic acid
InChI:
InChI=1S/C6H11ClO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)
InChI Key:
CBQBIPRPIHIKPW-UHFFFAOYSA-N
SMILES:
ClC(C(=O)O)CC(C)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.045g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.602g/mol
Monoisotopic Mass:
150.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Dissociation of branched-chain alpha-keto acid dehydrogenase kinase (BDK) from branched-chain alpha-keto acid dehydrogenase complex (BCKDC) by BDK inhibitors. | Journal of nutritional science and vitaminology 20050201 |
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