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40155-47-3 | 3-Methoxypyrazine-2-carboxylic acid
CAS No: 40155-47-3 Catalog No: AG0037W6 MDL No:MFCD10697766
Product Description
Catalog Number:
AG0037W6
Chemical Name:
3-Methoxypyrazine-2-carboxylic acid
CAS Number:
40155-47-3
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
MDL Number:
MFCD10697766
IUPAC Name:
3-methoxypyrazine-2-carboxylic acid
InChI:
InChI=1S/C6H6N2O3/c1-11-5-4(6(9)10)7-2-3-8-5/h2-3H,1H3,(H,9,10)
InChI Key:
HIQNMBCMDBUWJV-UHFFFAOYSA-N
SMILES:
COc1nccnc1C(=O)O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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