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(1R,2S)-2-benzoylcyclopropane-1-carboxylic acid

(1R,2S)-2-benzoylcyclopropane-1-carboxylic acid

CAS: 1601-81-6

Formula: C11H10O3

SMILES: OC(=O)[C@@H]1C[C@@H]1C(=O)C1=CC=CC=C1

IUPAC: (1R,2S)-2-benzoylcyclopropane-1-carboxylic acid

InChI: InChI=1S/C11H10O3/c12-10(7-4-2-1-3-5-7)8-6-9(8)11(13)14/h1-5,8-9H,6H2,(H,13,14)/t8-,9+/m0/s1

Composition: C (69.46%), H (5.30%), O (25.24%)

Molar Mass: 190.198

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 190.062994182
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LKZSGYYDOQYLNR-DTWKUNHWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.1
Topological Polar Surface Area 54.37
Polarizability 19.39
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1601-81-6 $171.35-$3,447.70$171.35$221.95$327.75$516.35$917.70$3,447.70
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