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924858-73-1 | Phenol, 2-methyl-5-(1H-tetrazol-1-yl)-
CAS No: 924858-73-1 Catalog No: AG003ATY MDL No:MFCD08848230
Product Description
Catalog Number:
AG003ATY
Chemical Name:
Phenol, 2-methyl-5-(1H-tetrazol-1-yl)-
CAS Number:
924858-73-1
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
MDL Number:
MFCD08848230
IUPAC Name:
2-methyl-5-(tetrazol-1-yl)phenol
InChI:
InChI=1S/C8H8N4O/c1-6-2-3-7(4-8(6)13)12-5-9-10-11-12/h2-5,13H,1H3
InChI Key:
VGAFUMWYLCVIAA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1O)n1cnnn1
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:
1.1
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