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340682-24-8 | 3-(5-hydroxypyridin-3-yl)prop-2-enoic acid
CAS No: 340682-24-8 Catalog No: AG01A2WL MDL No:MFCD22628396
Product Description
Catalog Number:
AG01A2WL
Chemical Name:
3-(5-hydroxypyridin-3-yl)prop-2-enoic acid
CAS Number:
340682-24-8
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD22628396
IUPAC Name:
3-(5-hydroxypyridin-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C8H7NO3/c10-7-3-6(4-9-5-7)1-2-8(11)12/h1-5,10H,(H,11,12)
InChI Key:
IENCUXURMYOKEK-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1cncc(c1)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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