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876716-20-0 | 1H-Tetrazole-1-propanoicacid, 5-methyl-
CAS No: 876716-20-0 Catalog No: AG004H68 MDL No:MFCD07186412
Product Description
Catalog Number:
AG004H68
Chemical Name:
1H-Tetrazole-1-propanoicacid, 5-methyl-
CAS Number:
876716-20-0
Molecular Formula:
C5H8N4O2
Molecular Weight:
156.1426
MDL Number:
MFCD07186412
IUPAC Name:
3-(5-methyltetrazol-1-yl)propanoic acid
InChI:
InChI=1S/C5H8N4O2/c1-4-6-7-8-9(4)3-2-5(10)11/h2-3H2,1H3,(H,10,11)
InChI Key:
BWHMAWHZWZJDKG-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1nnnc1C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.065g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.145g/mol
Monoisotopic Mass:
156.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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