PENICILLANIC ACID

(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

CAS: 87-53-6

Molecular Formula	`C8H11NO3S`
Molecular Weight	201.25 g/mol
LogP	0.3
Topological Polar Surface Area	82.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	201.04596
Heavy Atoms	13
Complexity	289.0

Chemical Identifiers

CAS Number	87-53-6
SMILES	`CC1(C(N2C(S1)CC2=O)C(=O)O)C`
InChIKey	`RBKMMJSQKNKNEV-RITPCOANSA-N`

📖 Product Overview

PENICILLANIC ACID (CAS: 87-53-6) is a chemical compound with molecular formula C8H11NO3S and molecular weight 201.25 g/mol. Its IUPAC systematic name is (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. LogP 0.3 Topological Polar Surface Area 82.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 1 Exact Mass 201.04596 Heavy Atoms 13 Complexity 289.0 InChI Key: RBKMMJSQKNKNEV-RITPCOANSA-N. SMILES: CC1(C(N2C(S1)CC2=O)C(=O)O)C.

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