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1313266-91-9 | 1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 1-(2-methoxyethyl)-
CAS No: 1313266-91-9 Catalog No: AG000VXL MDL No:
Product Description
Catalog Number:
AG000VXL
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 1-(2-methoxyethyl)-
CAS Number:
1313266-91-9
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
IUPAC Name:
1-(2-methoxyethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C11H12N2O3/c1-16-5-4-13-7-9(11(14)15)8-2-3-12-6-10(8)13/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChI Key:
XSNOODVNYQEMOZ-UHFFFAOYSA-N
SMILES:
COCCn1cc(c2c1cncc2)C(=O)O
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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