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89017-59-4 | 5,6-Octadienoic acid, 4-amino-
CAS No: 89017-59-4 Catalog No: AG0042SP MDL No:
Product Description
Catalog Number:
AG0042SP
Chemical Name:
5,6-Octadienoic acid, 4-amino-
CAS Number:
89017-59-4
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
IUPAC Name:
4-aminoocta-5,6-dienoic acid
InChI:
InChI=1S/C8H13NO2/c1-2-3-4-7(9)5-6-8(10)11/h2,4,7H,5-6,9H2,1H3,(H,10,11)
InChI Key:
IDKITPVRIHWVDP-UHFFFAOYSA-N
SMILES:
CC=C=CC(CCC(=O)O)N
Properties
Complexity:
181
Compound Is Canonicalized:
No
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:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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