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88284-45-1 | 2-Butenoic acid, 3-amino-, 2-(hexyloxy)ethyl ester
CAS No: 88284-45-1 Catalog No: AG004A8W MDL No:
Product Description
Catalog Number:
AG004A8W
Chemical Name:
2-Butenoic acid, 3-amino-, 2-(hexyloxy)ethyl ester
CAS Number:
88284-45-1
Molecular Formula:
C12H23NO3
Molecular Weight:
229.3159
IUPAC Name:
2-hexoxyethyl 3-aminobut-2-enoate
InChI:
InChI=1S/C12H23NO3/c1-3-4-5-6-7-15-8-9-16-12(14)10-11(2)13/h10H,3-9,13H2,1-2H3
InChI Key:
NLNUDYDKZPYYOV-UHFFFAOYSA-N
SMILES:
CCCCCCOCCOC(=O)C=C(N)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.32g/mol
Monoisotopic Mass:
229.168g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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