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115109-01-8 | Heptanoic acid, 4-methyl-, (4R)-
CAS No: 115109-01-8 Catalog No: AG000GAQ MDL No:
Product Description
Catalog Number:
AG000GAQ
Chemical Name:
Heptanoic acid, 4-methyl-, (4R)-
CAS Number:
115109-01-8
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
IUPAC Name:
(4R)-4-methylheptanoic acid
InChI:
InChI=1S/C8H16O2/c1-3-4-7(2)5-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m1/s1
InChI Key:
LXHFVSWWDNNDPW-SSDOTTSWSA-N
SMILES:
CCC[C@H](CCC(=O)O)C
Properties
Complexity:
99.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
144.115g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.214g/mol
Monoisotopic Mass:
144.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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