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7340-22-9 | 3-(2-Pyridyl)acrylic Acid, Predominantly trans
CAS No: 7340-22-9 Catalog No: AG0033GA MDL No:MFCD00179422
Product Description
Catalog Number:
AG0033GA
Chemical Name:
3-(2-Pyridyl)acrylic Acid, Predominantly trans
CAS Number:
7340-22-9
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD00179422
IUPAC Name:
(E)-3-pyridin-2-ylprop-2-enoic acid
InChI:
InChI=1S/C8H7NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h1-6H,(H,10,11)/b5-4+
InChI Key:
LKDFTXDJKHGCAC-SNAWJCMRSA-N
SMILES:
OC(=O)/C=C/c1ccccn1
EC Number:
615-976-9
NSC Number:
63239
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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