Home Other Building Blocks (1-phenyl-1H-1,2,3,4-tetrazol-5-yl)methanol

(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)methanol

CAS No.:
99584-33-5
Catalog Number:
AG01A9O1
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
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Product Description
Catalog Number:
AG01A9O1
Chemical Name:
(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)methanol
CAS Number:
99584-33-5
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
MDL Number:
MFCD12137934
IUPAC Name:
(1-phenyltetrazol-5-yl)methanol
InChI:
InChI=1S/C8H8N4O/c13-6-8-9-10-11-12(8)7-4-2-1-3-5-7/h1-5,13H,6H2
InChI Key:
ACKJYBUCEWZWOG-UHFFFAOYSA-N
SMILES:
OCc1nnnn1c1ccccc1
Properties
Complexity:
160  
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:
2  
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties