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157124-40-8 | Phenol, 3-(5-methyl-1H-tetrazol-1-yl)-
CAS No: 157124-40-8 Catalog No: AG001P91 MDL No:MFCD08691474
Product Description
Catalog Number:
AG001P91
Chemical Name:
Phenol, 3-(5-methyl-1H-tetrazol-1-yl)-
CAS Number:
157124-40-8
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
MDL Number:
MFCD08691474
IUPAC Name:
3-(5-methyltetrazol-1-yl)phenol
InChI:
InChI=1S/C8H8N4O/c1-6-9-10-11-12(6)7-3-2-4-8(13)5-7/h2-5,13H,1H3
InChI Key:
ZNAULYCHNQCCGW-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)n1nnnc1C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.07g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.179g/mol
Monoisotopic Mass:
176.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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