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tazarotenic acid

tazarotenic acid

CAS: 118292-41-4

Formula: C19H17NO2S

SMILES: CC1(C)CCSC2=C1C=C(C=C2)C#CC1=NC=C(C=C1)C(O)=O

IUPAC: 6-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)ethynyl]pyridine-3-carboxylic acid

InChI: InChI=1S/C19H17NO2S/c1-19(2)9-10-23-17-8-4-13(11-16(17)19)3-6-15-7-5-14(12-20-15)18(21)22/h4-5,7-8,11-12H,9-10H2,1-2H3,(H,21,22)

Composition: C (70.56%), H (5.30%), N (4.33%), O (9.89%), S (9.91%)

Molar Mass: 323.41

Atom Count: 40

Heavy Atom Count: 23

Properties
Properties
Common Names tazarotenic acid
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 323.097999965
Formal Charge 0
FSP3 0.26
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey IQIBKLWBVJPOQO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.36
Topological Polar Surface Area 50.19
Polarizability 35.36
Ring Count 3
Rotatable Bond Count 3

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98% <14 Days 118292-41-4 Quote Only