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199014-14-7 | 1H-1,2,4-Triazole-5-methanol, 1-[(4-methoxyphenyl)methyl]-
CAS No: 199014-14-7 Catalog No: AG002BVV MDL No:MFCD12405587
Product Description
Catalog Number:
AG002BVV
Chemical Name:
1H-1,2,4-Triazole-5-methanol, 1-[(4-methoxyphenyl)methyl]-
CAS Number:
199014-14-7
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
MDL Number:
MFCD12405587
IUPAC Name:
[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methanol
InChI:
InChI=1S/C11H13N3O2/c1-16-10-4-2-9(3-5-10)6-14-11(7-15)12-8-13-14/h2-5,8,15H,6-7H2,1H3
InChI Key:
PIRGPSAINQOQSD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1ncnc1CO
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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