Home Other Building Blocks 3-(5-methylpyridin-2-yl)prop-2-enoic acid

3-(5-methylpyridin-2-yl)prop-2-enoic acid

CAS No.:
1335225-09-6
Catalog Number:
AG01A6KZ
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
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Product Description
Catalog Number:
AG01A6KZ
Chemical Name:
3-(5-methylpyridin-2-yl)prop-2-enoic acid
CAS Number:
1335225-09-6
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD20645759
IUPAC Name:
3-(5-methylpyridin-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C9H9NO2/c1-7-2-3-8(10-6-7)4-5-9(11)12/h2-6H,1H3,(H,11,12)
InChI Key:
YVZQRTARYNLSEM-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccc(cn1)C
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.2  
Properties