(2S)-2-hydroxy-3,3-dimethylbutanoic acid

(2S)-2-hydroxy-3,3-dimethylbutanoic acid

CAS: 21641-92-9

Formula: C6H12O3

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

IUPAC: (2S)-2-hydroxy-3,3-dimethylbutanoic acid

InChI: InChI=1S/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)/t4-/m1/s1

Composition: C (54.53%), H (9.15%), O (36.32%)

Molar Mass: 132.159

Atom Count: 21

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	132.078644246
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	FWVNWTNCNWRCOU-SCSAIBSYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.23
Topological Polar Surface Area	57.53
Polarizability	12.97
Ring Count	0
Rotatable Bond Count	2

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