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245727-67-7 | 2-Hexenoic acid, 3-(acetylamino)-, ethyl ester, (2E)-
CAS No: 245727-67-7 Catalog No: AG002OM2 MDL No:
Product Description
Catalog Number:
AG002OM2
Chemical Name:
2-Hexenoic acid, 3-(acetylamino)-, ethyl ester, (2E)-
CAS Number:
245727-67-7
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
IUPAC Name:
ethyl 3-acetamidohex-2-enoate
InChI:
InChI=1S/C10H17NO3/c1-4-6-9(11-8(3)12)7-10(13)14-5-2/h7H,4-6H2,1-3H3,(H,11,12)
InChI Key:
UPWGEDNJXJLVBP-UHFFFAOYSA-N
SMILES:
CCC/C(=C\C(=O)OCC)/NC(=O)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.25g/mol
Monoisotopic Mass:
199.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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