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1269104-97-3 | 2-(1-methyl-1H-benzimidazol-2-yl)ethanol dihydrate
CAS No: 1269104-97-3 Catalog No: AG00J1OR MDL No:MFCD13194000
Product Description
Catalog Number:
AG00J1OR
Chemical Name:
2-(1-methyl-1H-benzimidazol-2-yl)ethanol dihydrate
CAS Number:
1269104-97-3
Molecular Formula:
C10H16N2O3
Molecular Weight:
212.2456
MDL Number:
MFCD13194000
IUPAC Name:
2-(1-methylbenzimidazol-2-yl)ethanol;dihydrate
InChI:
InChI=1S/C10H12N2O.2H2O/c1-12-9-5-3-2-4-8(9)11-10(12)6-7-13;;/h2-5,13H,6-7H2,1H3;2*1H2
InChI Key:
ORVQQRKSRXBIPI-UHFFFAOYSA-N
SMILES:
OCCc1nc2c(n1C)cccc2.O.O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.249g/mol
Monoisotopic Mass:
212.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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