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1603399-99-0 | 3-(2-methylpyridin-4-yl)prop-2-ynoic acid
CAS No: 1603399-99-0 Catalog No: AG01DRH8 MDL No:MFCD31463781
Product Description
Catalog Number:
AG01DRH8
Chemical Name:
3-(2-methylpyridin-4-yl)prop-2-ynoic acid
CAS Number:
1603399-99-0
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD31463781
IUPAC Name:
3-(2-methylpyridin-4-yl)prop-2-ynoic acid
InChI:
InChI=1S/C9H7NO2/c1-7-6-8(4-5-10-7)2-3-9(11)12/h4-6H,1H3,(H,11,12)
InChI Key:
KDZWPSGQUONNRQ-UHFFFAOYSA-N
SMILES:
Cc1nccc(c1)C#CC(=O)O
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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