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340771-86-0 | METHYL 3-(6-METHYLPYRIDIN-3-YL)PROP-2-YNOATE
CAS No: 340771-86-0 Catalog No: AG01DRFD MDL No:MFCD00466712
Product Description
Catalog Number:
AG01DRFD
Chemical Name:
METHYL 3-(6-METHYLPYRIDIN-3-YL)PROP-2-YNOATE
CAS Number:
340771-86-0
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00466712
IUPAC Name:
methyl 3-(6-methylpyridin-3-yl)prop-2-ynoate
InChI:
InChI=1S/C10H9NO2/c1-8-3-4-9(7-11-8)5-6-10(12)13-2/h3-4,7H,1-2H3
InChI Key:
POFUEDIDZRDERH-UHFFFAOYSA-N
SMILES:
COC(=O)C#Cc1ccc(nc1)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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