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3-methylpyridine-2-sulfonic acid hydrate

3-methylpyridine-2-sulfonic acid hydrate

CAS: 1914148-55-2

Formula: C6H9NO4S

SMILES: O.CC1=CC=CN=C1S(O)(=O)=O

IUPAC: 3-methylpyridine-2-sulfonic acid hydrate

InChI: InChI=1S/C6H7NO3S.H2O/c1-5-3-2-4-7-6(5)11(8,9)10;/h2-4H,1H3,(H,8,9,10);1H2

Composition: C (37.69%), H (4.74%), N (7.33%), O (33.47%), S (16.77%)

Molar Mass: 191.2

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 191.025228948
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey RSQIMDKJHKOOQW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.88
Topological Polar Surface Area 67.26
Polarizability 15.88
Ring Count 1
Rotatable Bond Count 1

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Purity (%)
-
Ships Within
Days
Packet Size
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 1914148-55-2 $93.15-$118.45$93.15$118.45
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