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3,3-dimethyl-2-phenyloxirane-2-carboxylic acid

3,3-dimethyl-2-phenyloxirane-2-carboxylic acid

CAS: 1027881-68-0

Formula: C11H12O3

SMILES: CC1(C)OC1(C(O)=O)C1=CC=CC=C1

IUPAC: 3,3-dimethyl-2-phenyloxirane-2-carboxylic acid

InChI: InChI=1/C11H12O3/c1-10(2)11(14-10,9(12)13)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,13)

Composition: C (68.74%), H (6.29%), O (24.97%)

Molar Mass: 192.214

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 192.078644246
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ABBBAXAFEXFVHF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.51
Topological Polar Surface Area 49.83
Polarizability 20.01
Ring Count 2
Rotatable Bond Count 2

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