Home Carboxys Methyl 6,7-dimethoxy-4-ethyl-β-carboline-3-carboxylate

Methyl 6,7-dimethoxy-4-ethyl-β-carboline-3-carboxylate

CAS No.:
82499-00-1
Catalog Number:
AG0035V8
Molecular Formula:
C17H18N2O4
Molecular Weight:
314.3358
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Purity
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Product Description
Catalog Number:
AG0035V8
Chemical Name:
Methyl 6,7-dimethoxy-4-ethyl-β-carboline-3-carboxylate
CAS Number:
82499-00-1
Molecular Formula:
C17H18N2O4
Molecular Weight:
314.3358
MDL Number:
MFCD00055073
IUPAC Name:
methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
InChI:
InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3
InChI Key:
GADIKQPUNWAMEB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc2c(c1CC)c1cc(OC)c(cc1[nH]2)OC
UNII:
1309288N1J
Properties
Complexity:
433  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.127g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
314.341g/mol
Monoisotopic Mass:
314.127g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
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Properties