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89031-79-8 | 5,8-Decadienoic acid, 10-amino-, methyl ester, (Z,Z)-
CAS No: 89031-79-8 Catalog No: AG0043YR MDL No:
Product Description
Catalog Number:
AG0043YR
Chemical Name:
5,8-Decadienoic acid, 10-amino-, methyl ester, (Z,Z)-
CAS Number:
89031-79-8
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
IUPAC Name:
methyl 10-aminodeca-5,8-dienoate
InChI:
InChI=1S/C11H19NO2/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h2-3,6,8H,4-5,7,9-10,12H2,1H3
InChI Key:
PCHQVSRAKCWUGV-UHFFFAOYSA-N
SMILES:
NC/C=C\C/C=C\CCCC(=O)OC
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.142g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.278g/mol
Monoisotopic Mass:
197.142g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.2
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