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70580-13-1 | 3-(3-methylpyridin-2-yl)prop-2-enoic acid
CAS No: 70580-13-1 Catalog No: AG01A63W MDL No:
Product Description
Catalog Number:
AG01A63W
Chemical Name:
3-(3-methylpyridin-2-yl)prop-2-enoic acid
CAS Number:
70580-13-1
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
3-(3-methylpyridin-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C9H9NO2/c1-7-3-2-6-10-8(7)4-5-9(11)12/h2-6H,1H3,(H,11,12)
InChI Key:
BTBTVPAYRMOTBK-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ncccc1C
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
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