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24195-03-7 | 4-(Methoxycarbonyl)picolinic acid
CAS No: 24195-03-7 Catalog No: AG0037SA MDL No:MFCD01927895
Product Description
Catalog Number:
AG0037SA
Chemical Name:
4-(Methoxycarbonyl)picolinic acid
CAS Number:
24195-03-7
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD01927895
IUPAC Name:
4-methoxycarbonylpyridine-2-carboxylic acid
InChI:
InChI=1S/C8H7NO4/c1-13-8(12)5-2-3-9-6(4-5)7(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
AWYZUHWYUSSDAI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc(c1)C(=O)O
Properties
Complexity:
216
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:
1
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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