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guaifenesin

guaifenesin

CAS: 93-14-1

Formula: C10H14O4

SMILES: COC1=C(OCC(O)CO)C=CC=C1

IUPAC: 3-(2-methoxyphenoxy)propane-1,2-diol

InChI: InChI=1/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3

Composition: C (60.59%), H (7.12%), O (32.29%)

Molar Mass: 198.218

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names guaifenesin; guaifenesin (inn)
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 198.089208931
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey HSRJKNPTNIJEKV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.24
Topological Polar Surface Area 58.92
Polarizability 20.31
Ring Count 1
Rotatable Bond Count 5

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