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2-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid

2-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid

CAS: 252353-18-7

Formula: C10H9NO3S

SMILES: CC(SC1=NC2=CC=CC=C2O1)C(O)=O

IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid

InChI: InChI=1/C10H9NO3S/c1-6(9(12)13)15-10-11-7-4-2-3-5-8(7)14-10/h2-6H,1H3,(H,12,13)

Composition: C (53.80%), H (4.06%), N (6.27%), O (21.50%), S (14.36%)

Molar Mass: 223.25

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 223.030314328
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MWCCDEDKPAULRG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.68
Topological Polar Surface Area 63.33
Polarizability 22.95
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 252353-18-7 $213.90-$329.41$213.90$329.41
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