Home Other Building Blocks (4-PHENYL-1H-1,2,3-TRIAZOL-5-YL)METHANOL

(4-PHENYL-1H-1,2,3-TRIAZOL-5-YL)METHANOL

CAS No.:
876592-09-5
Catalog Number:
AG01DWRL
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
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Product Description
Catalog Number:
AG01DWRL
Chemical Name:
(4-PHENYL-1H-1,2,3-TRIAZOL-5-YL)METHANOL
CAS Number:
876592-09-5
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD08277382
IUPAC Name:
(5-phenyl-2H-triazol-4-yl)methanol
InChI:
InChI=1S/C9H9N3O/c13-6-8-9(11-12-10-8)7-4-2-1-3-5-7/h1-5,13H,6H2,(H,10,11,12)
InChI Key:
ZNVLCCLHMSMGAT-UHFFFAOYSA-N
SMILES:
OCc1[nH]nnc1c1ccccc1
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties