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143767-54-8 | 3-Isoquinolinecarboxylic acid, 2-acetyl-1,2,3,4-tetrahydro-
CAS No: 143767-54-8 Catalog No: AG001IC2 MDL No:MFCD00718847
Product Description
Catalog Number:
AG001IC2
Chemical Name:
3-Isoquinolinecarboxylic acid, 2-acetyl-1,2,3,4-tetrahydro-
CAS Number:
143767-54-8
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD00718847
IUPAC Name:
2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
InChI:
InChI=1S/C12H13NO3/c1-8(14)13-7-10-5-3-2-4-9(10)6-11(13)12(15)16/h2-5,11H,6-7H2,1H3,(H,15,16)
InChI Key:
CNBQGXOEOOVTPA-UHFFFAOYSA-N
SMILES:
CC(=O)N1Cc2ccccc2CC1C(=O)O
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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