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20180-65-8 | Pentanoic acid, 3,4-dimethyl-, (3S)-
CAS No: 20180-65-8 Catalog No: AG0027UC MDL No:
Product Description
Catalog Number:
AG0027UC
Chemical Name:
Pentanoic acid, 3,4-dimethyl-, (3S)-
CAS Number:
20180-65-8
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
IUPAC Name:
(3S)-3,4-dimethylpentanoic acid
InChI:
InChI=1S/C7H14O2/c1-5(2)6(3)4-7(8)9/h5-6H,4H2,1-3H3,(H,8,9)/t6-/m0/s1
InChI Key:
GETAKGOKCSRVLZ-LURJTMIESA-N
SMILES:
C[C@H](C(C)C)CC(=O)O
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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