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101161-40-4 | 1H-Pyrazole-1-methanol, 4,4'-methylenebis[3,5-dimethyl-
CAS No: 101161-40-4 Catalog No: AG0003VT MDL No:
Product Description
Catalog Number:
AG0003VT
Chemical Name:
1H-Pyrazole-1-methanol, 4,4'-methylenebis[3,5-dimethyl-
CAS Number:
101161-40-4
Molecular Formula:
C13H20N4O2
Molecular Weight:
264.3235
IUPAC Name:
[4-[[1-(hydroxymethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3,5-dimethylpyrazol-1-yl]methanol
InChI:
InChI=1S/C13H20N4O2/c1-8-12(10(3)16(6-18)14-8)5-13-9(2)15-17(7-19)11(13)4/h18-19H,5-7H2,1-4H3
InChI Key:
LGXRMLOGBHTYBH-UHFFFAOYSA-N
SMILES:
OCn1nc(c(c1C)Cc1c(C)nn(c1C)CO)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.159g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.329g/mol
Monoisotopic Mass:
264.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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