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137696-23-2 | 9H-Carbazole-9-acetic acid, 3,6-diamino-, methyl ester
CAS No: 137696-23-2 Catalog No: AG0013QC MDL No:
Product Description
Catalog Number:
AG0013QC
Chemical Name:
9H-Carbazole-9-acetic acid, 3,6-diamino-, methyl ester
CAS Number:
137696-23-2
Molecular Formula:
C15H15N3O2
Molecular Weight:
269.2985
IUPAC Name:
methyl 2-(3,6-diaminocarbazol-9-yl)acetate
InChI:
InChI=1S/C15H15N3O2/c1-20-15(19)8-18-13-4-2-9(16)6-11(13)12-7-10(17)3-5-14(12)18/h2-7H,8,16-17H2,1H3
InChI Key:
CHGSZEWACGNXMT-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1c2ccc(cc2c2c1ccc(c2)N)N
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.304g/mol
Monoisotopic Mass:
269.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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