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761368-97-2 | 3-Pyridinecarboxylicacid, 6-ethyl-1,2,5,6-tetrahydro-
CAS No: 761368-97-2 Catalog No: AG005G54 MDL No:
Product Description
Catalog Number:
AG005G54
Chemical Name:
3-Pyridinecarboxylicacid, 6-ethyl-1,2,5,6-tetrahydro-
CAS Number:
761368-97-2
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
IUPAC Name:
2-ethyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
InChI:
InChI=1S/C8H13NO2/c1-2-7-4-3-6(5-9-7)8(10)11/h3,7,9H,2,4-5H2,1H3,(H,10,11)
InChI Key:
ZXMUMSYZIIOMLH-UHFFFAOYSA-N
SMILES:
CCC1CC=C(CN1)C(=O)O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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