Home Other Building Blocks 3-(4-methylpyridin-3-yl)prop-2-enoic acid hydrochloride

3-(4-methylpyridin-3-yl)prop-2-enoic acid hydrochloride

CAS No.:
1461726-88-4
Catalog Number:
AG01A6K4
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
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Product Description
Catalog Number:
AG01A6K4
Chemical Name:
3-(4-methylpyridin-3-yl)prop-2-enoic acid hydrochloride
CAS Number:
1461726-88-4
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
MDL Number:
MFCD25970329
IUPAC Name:
3-(4-methylpyridin-3-yl)prop-2-enoic acid;hydrochloride
InChI:
InChI=1S/C9H9NO2.ClH/c1-7-4-5-10-6-8(7)2-3-9(11)12;/h2-6H,1H3,(H,11,12);1H
InChI Key:
CBNVOLVAOGWTLV-UHFFFAOYSA-N
SMILES:
Cc1ccncc1C=CC(=O)O.Cl
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
199.634g/mol
Monoisotopic Mass:
199.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
Properties