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Home > Imidazoles > 97801-05-3
97801-05-3 | 2-(2-METHYL-1H-IMIDAZOL-1-YL)-1-PROPANOL
CAS No: 97801-05-3 Catalog No: AG006AX4 MDL No:MFCD09971301
Product Description
Catalog Number:
AG006AX4
Chemical Name:
2-(2-METHYL-1H-IMIDAZOL-1-YL)-1-PROPANOL
CAS Number:
97801-05-3
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
MDL Number:
MFCD09971301
IUPAC Name:
2-(2-methylimidazol-1-yl)propan-1-ol
InChI:
InChI=1S/C7H12N2O/c1-6(5-10)9-4-3-8-7(9)2/h3-4,6,10H,5H2,1-2H3
InChI Key:
SZDCMPPNMYJCAC-UHFFFAOYSA-N
SMILES:
CC(n1ccnc1C)CO
EC Number:
268-651-5
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.186g/mol
Monoisotopic Mass:
140.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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