2-ethyl-2-methyl-5-oxooxolane-3-carboxylic acid

2-ethyl-2-methyl-5-oxooxolane-3-carboxylic acid

CAS: 38840-97-0

Formula: C8H12O4

SMILES: CCC1(C)OC(=O)CC1C(O)=O

IUPAC: 2-ethyl-2-methyl-5-oxooxolane-3-carboxylic acid

InChI: InChI=1/C8H12O4/c1-3-8(2)5(7(10)11)4-6(9)12-8/h5H,3-4H2,1-2H3,(H,10,11)

Composition: C (55.81%), H (7.03%), O (37.17%)

Molar Mass: 172.18

Atom Count: 24

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	172.073558866
Formal Charge	0
FSP3	0.75
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BDBXSROXDJGCEC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.97
Topological Polar Surface Area	63.6
Polarizability	16.13
Ring Count	1
Rotatable Bond Count	2

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