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5-{[N-(furan-2-ylmethyl)methanesulfonamido]methyl}furan-2-carboxylic acid

5-{[N-(furan-2-ylmethyl)methanesulfonamido]methyl}furan-2-carboxylic acid

CAS: 1011396-80-7

Formula: C12H13NO6S

SMILES: CS(=O)(=O)N(CC1=CC=CO1)CC1=CC=C(O1)C(O)=O

IUPAC: 5-({N-[(furan-2-yl)methyl]methanesulfonamido}methyl)furan-2-carboxylic acid

InChI: InChI=1S/C12H13NO6S/c1-20(16,17)13(7-9-3-2-6-18-9)8-10-4-5-11(19-10)12(14)15/h2-6H,7-8H2,1H3,(H,14,15)

Composition: C (48.16%), H (4.38%), N (4.68%), O (32.07%), S (10.71%)

Molar Mass: 299.3

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 299.046358317
Formal Charge 0
FSP3 0.25
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey FPHSSNBUJCSZCM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69
Topological Polar Surface Area 100.96
Polarizability 27.04
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
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Crea-Chim UAB
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95% <7 Days 1011396-80-7 $127.40$127.40
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