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77626-41-6 | [(methoxycarbonyl)oxy](pyridin-2-yl)methanone
CAS No: 77626-41-6 Catalog No: AG01A1UI MDL No:MFCD22565953
Product Description
Catalog Number:
AG01A1UI
Chemical Name:
[(methoxycarbonyl)oxy](pyridin-2-yl)methanone
CAS Number:
77626-41-6
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD22565953
IUPAC Name:
methoxycarbonyl pyridine-2-carboxylate
InChI:
InChI=1S/C8H7NO4/c1-12-8(11)13-7(10)6-4-2-3-5-9-6/h2-5H,1H3
InChI Key:
FVACPSNGHWUBQN-UHFFFAOYSA-N
SMILES:
COC(=O)OC(=O)c1ccccn1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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