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121911-03-3 | 2H-Pyrido[3,4-b]indole-2-acetic acid, 1,3,4,9-tetrahydro-, methyl ester
CAS No: 121911-03-3 Catalog No: AG0016DN MDL No:
Product Description
Catalog Number:
AG0016DN
Chemical Name:
2H-Pyrido[3,4-b]indole-2-acetic acid, 1,3,4,9-tetrahydro-, methyl ester
CAS Number:
121911-03-3
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
IUPAC Name:
methyl 2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)acetate
InChI:
InChI=1S/C14H16N2O2/c1-18-14(17)9-16-7-6-11-10-4-2-3-5-12(10)15-13(11)8-16/h2-5,15H,6-9H2,1H3
InChI Key:
QVVKPCJAOVAHNN-UHFFFAOYSA-N
SMILES:
COC(=O)CN1CCc2c(C1)[nH]c1c2cccc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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