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128266-92-2 | 1H-Carbazole-4-acetic acid, 2,3,4,9-tetrahydro-, methyl ester
CAS No: 128266-92-2 Catalog No: AG000XY3 MDL No:
Product Description
Catalog Number:
AG000XY3
Chemical Name:
1H-Carbazole-4-acetic acid, 2,3,4,9-tetrahydro-, methyl ester
CAS Number:
128266-92-2
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
IUPAC Name:
methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetate
InChI:
InChI=1S/C15H17NO2/c1-18-14(17)9-10-5-4-8-13-15(10)11-6-2-3-7-12(11)16-13/h2-3,6-7,10,16H,4-5,8-9H2,1H3
InChI Key:
JXMCYDXIVQQPSK-UHFFFAOYSA-N
SMILES:
COC(=O)CC1CCCc2c1c1ccccc1[nH]2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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