(2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid

(2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid

CAS: 23508-35-2

Formula: C9H10O4

SMILES: O[C@@H](CC1=CC=C(O)C=C1)C(O)=O

IUPAC: (2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid

InChI: InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m0/s1

Composition: C (59.34%), H (5.53%), O (35.13%)

Molar Mass: 182.175

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	182.057908802
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	JVGVDSSUAVXRDY-QMMMGPOBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.44
Topological Polar Surface Area	77.76
Polarizability	17.65
Ring Count	1
Rotatable Bond Count	3

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