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GUVACOLINE, HYDROBROMIDE

CAS No.:
495-19-2
Catalog Number:
AG00DGRZ
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
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Product Description
Catalog Number:
AG00DGRZ
Chemical Name:
GUVACOLINE, HYDROBROMIDE
CAS Number:
495-19-2
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
MDL Number:
MFCD02683335
IUPAC Name:
methyl 1,2,3,6-tetrahydropyridine-5-carboxylate
InChI:
InChI=1S/C7H11NO2/c1-10-7(9)6-3-2-4-8-5-6/h3,8H,2,4-5H2,1H3
InChI Key:
DYPLDWLIOGXSSE-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CCCNC1
UNII:
YT3OF85P98
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties