Home Other Building Blocks METHYL 5-FORMYL-4-METHYLPYRIDINE-2-CARBOXYLATE

METHYL 5-FORMYL-4-METHYLPYRIDINE-2-CARBOXYLATE

CAS No.:
1263060-77-0
Catalog Number:
AG01EMBI
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
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Product Description
Catalog Number:
AG01EMBI
Chemical Name:
METHYL 5-FORMYL-4-METHYLPYRIDINE-2-CARBOXYLATE
CAS Number:
1263060-77-0
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD22551820
IUPAC Name:
methyl 5-formyl-4-methylpyridine-2-carboxylate
InChI:
InChI=1S/C9H9NO3/c1-6-3-8(9(12)13-2)10-4-7(6)5-11/h3-5H,1-2H3
InChI Key:
GSRYXMATYWZEDR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(c(c1)C)C=O
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties