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5337-79-1 | 2-Propenoic acid, 3-(4-pyridinyl)-
CAS No: 5337-79-1 Catalog No: AG00I9J6 MDL No:MFCD00040746
Product Description
Catalog Number:
AG00I9J6
Chemical Name:
2-Propenoic acid, 3-(4-pyridinyl)-
CAS Number:
5337-79-1
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD00040746
IUPAC Name:
(E)-3-pyridin-4-ylprop-2-enoic acid
InChI:
InChI=1S/C8H7NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-6H,(H,10,11)/b2-1+
InChI Key:
SSAYTINUCCRGDR-OWOJBTEDSA-N
SMILES:
OC(=O)/C=C/c1ccncc1
EC Number:
226-265-4
NSC Number:
830
Properties
Complexity:
160
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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