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1935936-86-9 | 2-(3-cyclopropyl-6-oxopyridazin-1(6H)-yl)acetic acid
CAS No: 1935936-86-9 Catalog No: AG01FN5U MDL No:MFCD29046245
Product Description
Catalog Number:
AG01FN5U
Chemical Name:
2-(3-cyclopropyl-6-oxopyridazin-1(6H)-yl)acetic acid
CAS Number:
1935936-86-9
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
MDL Number:
MFCD29046245
IUPAC Name:
2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetic acid
InChI:
InChI=1S/C9H10N2O3/c12-8-4-3-7(6-1-2-6)10-11(8)5-9(13)14/h3-4,6H,1-2,5H2,(H,13,14)
InChI Key:
XKQYMWLEDKVYHR-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1nc(ccc1=O)C1CC1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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