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(+)-hydratropic acid

(+)-hydratropic acid

CAS: 7782-24-3

Formula: C9H10O2

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

IUPAC: (2S)-2-phenylpropanoic acid

InChI: InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1

Composition: C (71.98%), H (6.71%), O (21.31%)

Molar Mass: 150.177

Atom Count: 21

Heavy Atom Count: 11

Properties
Properties
Common Names (+)-hydratropasaeure; (+)-hydratropic acid; (S)-α-methylbenzeneacetic acid
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 150.068079562
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey YPGCWEMNNLXISK-ZETCQYMHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.94
Topological Polar Surface Area 37.3
Polarizability 16.36
Ring Count 1
Rotatable Bond Count 2

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