Home Other Building Blocks methyl 3-(3-methoxyphenyl)-3-(1H-1,2,3,4-tetrazol-1-yl)propanoate

methyl 3-(3-methoxyphenyl)-3-(1H-1,2,3,4-tetrazol-1-yl)propanoate

CAS No.:
2060031-50-5
Catalog Number:
AG01BVP3
Molecular Formula:
C12H14N4O3
Molecular Weight:
262.2646
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Product Description
Catalog Number:
AG01BVP3
Chemical Name:
methyl 3-(3-methoxyphenyl)-3-(1H-1,2,3,4-tetrazol-1-yl)propanoate
CAS Number:
2060031-50-5
Molecular Formula:
C12H14N4O3
Molecular Weight:
262.2646
MDL Number:
MFCD30497610
IUPAC Name:
methyl 3-(3-methoxyphenyl)-3-(tetrazol-1-yl)propanoate
InChI:
InChI=1S/C12H14N4O3/c1-18-10-5-3-4-9(6-10)11(7-12(17)19-2)16-8-13-14-15-16/h3-6,8,11H,7H2,1-2H3
InChI Key:
SJYFUTQIBZAQLZ-UHFFFAOYSA-N
SMILES:
COC(=O)CC(n1cnnn1)c1cccc(c1)OC
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.107g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.269g/mol
Monoisotopic Mass:
262.107g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties