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5-methyl-2,3-dihydro-1,4-benzoxathiine-6-carboxylic acid

5-methyl-2,3-dihydro-1,4-benzoxathiine-6-carboxylic acid

CAS: 1379310-41-4

Formula: C10H10O3S

SMILES: CC1=C(C=CC2=C1SCCO2)C(O)=O

IUPAC: 5-methyl-2,3-dihydro-1,4-benzoxathiine-6-carboxylic acid

InChI: InChI=1S/C10H10O3S/c1-6-7(10(11)12)2-3-8-9(6)14-5-4-13-8/h2-3H,4-5H2,1H3,(H,11,12)

Composition: C (57.13%), H (4.79%), O (22.83%), S (15.25%)

Molar Mass: 210.25

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 210.035065356
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VCLQCFPMJSFPIE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.81
Topological Polar Surface Area 46.53
Polarizability 21.12
Ring Count 2
Rotatable Bond Count 1

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95% <5 Days 1379310-41-4 $6,930.00$6,930.00
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