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1009-24-1 | Cycloheptimidazole, 2-methoxy-
CAS No: 1009-24-1 Catalog No: AG00034U MDL No:
Product Description
Catalog Number:
AG00034U
Chemical Name:
Cycloheptimidazole, 2-methoxy-
CAS Number:
1009-24-1
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
IUPAC Name:
2-methoxycyclohepta[d]imidazole
InChI:
InChI=1S/C9H8N2O/c1-12-9-10-7-5-3-2-4-6-8(7)11-9/h2-6H,1H3
InChI Key:
RSTCFFCDNAHPBK-UHFFFAOYSA-N
SMILES:
COc1nc2c(n1)ccccc2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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