Home Other Building Blocks 2-[5-(thiophen-3-yl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid

2-[5-(thiophen-3-yl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid

CAS No.:
869472-68-4
Catalog Number:
AG019ONV
Molecular Formula:
C7H6N4O2S
Molecular Weight:
210.2131
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Product Description
Catalog Number:
AG019ONV
Chemical Name:
2-[5-(thiophen-3-yl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid
CAS Number:
869472-68-4
Molecular Formula:
C7H6N4O2S
Molecular Weight:
210.2131
MDL Number:
MFCD07345668
IUPAC Name:
2-(5-thiophen-3-yltetrazol-2-yl)acetic acid
InChI:
InChI=1S/C7H6N4O2S/c12-6(13)3-11-9-7(8-10-11)5-1-2-14-4-5/h1-2,4H,3H2,(H,12,13)
InChI Key:
JUJVXKVUYGSNLK-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1nnc(n1)c1cscc1
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.021g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.211g/mol
Monoisotopic Mass:
210.021g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties