2,2,3-trimethylbut-3-enoic acid

2,2,3-trimethylbut-3-enoic acid

CAS: 4168-01-8

Formula: C7H12O2

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

IUPAC: 2,2,3-trimethylbut-3-enoic acid

InChI: InChI=1S/C7H12O2/c1-5(2)7(3,4)6(8)9/h1H2,2-4H3,(H,8,9)

Composition: C (65.60%), H (9.44%), O (24.97%)

Molar Mass: 128.171

Atom Count: 21

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	128.083729626
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SZVHSAUMBGHOSC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.27
Topological Polar Surface Area	37.3
Polarizability	13.9
Ring Count	0
Rotatable Bond Count	2

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