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1190322-90-7 | 1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, 3-formyl-, methyl ester
CAS No: 1190322-90-7 Catalog No: AG000I38 MDL No:MFCD12963063
Product Description
Catalog Number:
AG000I38
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, 3-formyl-, methyl ester
CAS Number:
1190322-90-7
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD12963063
IUPAC Name:
methyl 3-formyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
InChI:
InChI=1S/C10H8N2O3/c1-15-10(14)6-2-8-9(12-3-6)7(5-13)4-11-8/h2-5,11H,1H3
InChI Key:
KERXVNUPNCNJTQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1)[nH]cc2C=O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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