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Home > Pyridines > 106988-32-3
106988-32-3 | (2E)-3-(6-Methyl-2-pyridinyl)-2-propenoic acid
CAS No: 106988-32-3 Catalog No: AG00JB6G MDL No:MFCD06205265
Product Description
Catalog Number:
AG00JB6G
Chemical Name:
(2E)-3-(6-Methyl-2-pyridinyl)-2-propenoic acid
CAS Number:
106988-32-3
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD06205265
IUPAC Name:
(E)-3-(6-methylpyridin-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C9H9NO2/c1-7-3-2-4-8(10-7)5-6-9(11)12/h2-6H,1H3,(H,11,12)/b6-5+
InChI Key:
LCDFMVILQPHNQE-AATRIKPKSA-N
SMILES:
Cc1cccc(n1)/C=C/C(=O)O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
1.2
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