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(1S,2S)-2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid

(1S,2S)-2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid

CAS: 731810-73-4

Formula: C10H10O3

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

IUPAC: (1S,2S)-2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid

InChI: InChI=1S/C10H10O3/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9,11H,5H2,(H,12,13)/t8-,9+/m1/s1

Composition: C (67.41%), H (5.66%), O (26.94%)

Molar Mass: 178.187

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 178.062994182
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey SFPUQNBJRXMDHF-BDAKNGLRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.67
Topological Polar Surface Area 57.53
Polarizability 18.1
Ring Count 2
Rotatable Bond Count 2

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