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2-amino-3-(thiophen-3-yl)propanoic acid

2-amino-3-(thiophen-3-yl)propanoic acid

CAS: 3685-48-1

Formula: C7H9NO2S

SMILES: NC(CC1=CSC=C1)C(O)=O

IUPAC: 2-amino-3-(thiophen-3-yl)propanoic acid

InChI: InChI=1/C7H9NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)

Composition: C (49.11%), H (5.30%), N (8.18%), O (18.69%), S (18.73%)

Molar Mass: 171.21

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 171.035399708
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey VOIZSAUUYAGTMS-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.22
Topological Polar Surface Area 63.32
Polarizability 16.59
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS UnitPrice
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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 3685-48-1 $103.68-$930.24$103.68$311.04$930.24
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