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128353-00-4 | Pyrrolo[2,1-a]isoquinoline-3-carboxylic acid, 1-acetyl-, ethyl ester
CAS No: 128353-00-4 Catalog No: AG000XZT MDL No:
Product Description
Catalog Number:
AG000XZT
Chemical Name:
Pyrrolo[2,1-a]isoquinoline-3-carboxylic acid, 1-acetyl-, ethyl ester
CAS Number:
128353-00-4
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
ethyl 1-acetylpyrrolo[2,1-a]isoquinoline-3-carboxylate
InChI:
InChI=1S/C17H15NO3/c1-3-21-17(20)15-10-14(11(2)19)16-13-7-5-4-6-12(13)8-9-18(15)16/h4-10H,3H2,1-2H3
InChI Key:
SJSBQNAKYRVURK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(c2n1ccc1c2cccc1)C(=O)C
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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