2,2-dimethylpent-4-ynoic acid

2,2-dimethylpent-4-ynoic acid

CAS: 86101-48-6

Formula: C7H10O2

SMILES: CC(C)(CC#C)C(O)=O

IUPAC: 2,2-dimethylpent-4-ynoic acid

InChI: InChI=1S/C7H10O2/c1-4-5-7(2,3)6(8)9/h1H,5H2,2-3H3,(H,8,9)

Composition: C (66.65%), H (7.99%), O (25.36%)

Molar Mass: 126.155

Atom Count: 19

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	126.068079562
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PAIIPYZZHKTSKK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.01
Topological Polar Surface Area	37.3
Polarizability	13.05
Ring Count	0
Rotatable Bond Count	2

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