(3S)-3-methylheptanoic acid

(3S)-3-methylheptanoic acid

CAS: 59614-85-6

Formula: C8H16O2

SMILES: CCCC[C@H](C)CC(O)=O

IUPAC: (3S)-3-methylheptanoic acid

InChI: InChI=1S/C8H16O2/c1-3-4-5-7(2)6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m0/s1

Composition: C (66.63%), H (11.18%), O (22.19%)

Molar Mass: 144.214

Atom Count: 26

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	144.115029755
Formal Charge	0
FSP3	0.87
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DVESMWJFKVAFSP-ZETCQYMHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.22
Topological Polar Surface Area	37.3
Polarizability	15.98
Ring Count	0
Rotatable Bond Count	5

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