Home Carboxys methyl 5-(propan-2-yl)pyridine-2-carboxylate

methyl 5-(propan-2-yl)pyridine-2-carboxylate

CAS No.:
1211516-97-0
Catalog Number:
AG01BC8E
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
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Product Description
Catalog Number:
AG01BC8E
Chemical Name:
methyl 5-(propan-2-yl)pyridine-2-carboxylate
CAS Number:
1211516-97-0
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD18256204
IUPAC Name:
methyl 5-propan-2-ylpyridine-2-carboxylate
InChI:
InChI=1S/C10H13NO2/c1-7(2)8-4-5-9(11-6-8)10(12)13-3/h4-7H,1-3H3
InChI Key:
NQIPQXCVYDTFNN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cn1)C(C)C
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties