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3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid

3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid

CAS: 866156-12-9

Formula: C10H11NO3S

SMILES: CC1(C)CN(C1=O)C1=C(SC=C1)C(O)=O

IUPAC: 3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid

InChI: InChI=1S/C10H11NO3S/c1-10(2)5-11(9(10)14)6-3-4-15-7(6)8(12)13/h3-4H,5H2,1-2H3,(H,12,13)

Composition: C (53.32%), H (4.92%), N (6.22%), O (21.31%), S (14.23%)

Molar Mass: 225.26

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 225.045964392
Formal Charge 0
FSP3 0.4
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GCTMNVHGERHJLE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.4
Topological Polar Surface Area 57.61
Polarizability 21.12
Ring Count 2
Rotatable Bond Count 2

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 866156-12-9 $51.35-$86.31$51.35$63.37$86.31
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