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1363381-89-8 | 5H-Pyrrolo[2,3-b]pyrazine-2-carboxylic acid, methyl ester
CAS No: 1363381-89-8 Catalog No: AG0011PA MDL No:MFCD16658543
Product Description
Catalog Number:
AG0011PA
Chemical Name:
5H-Pyrrolo[2,3-b]pyrazine-2-carboxylic acid, methyl ester
CAS Number:
1363381-89-8
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD16658543
IUPAC Name:
methyl 5H-pyrrolo[2,3-b]pyrazine-2-carboxylate
InChI:
InChI=1S/C8H7N3O2/c1-13-8(12)6-4-10-7-5(11-6)2-3-9-7/h2-4H,1H3,(H,9,10)
InChI Key:
LKYVYGGBGJSMJX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(n1)cc[nH]2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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