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872607-77-7 | 2-Pentenoic acid, 3-ethyl-2-(formylamino)-, methyl ester
CAS No: 872607-77-7 Catalog No: AG004PXA MDL No:
Product Description
Catalog Number:
AG004PXA
Chemical Name:
2-Pentenoic acid, 3-ethyl-2-(formylamino)-, methyl ester
CAS Number:
872607-77-7
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
IUPAC Name:
methyl 3-ethyl-2-formamidopent-2-enoate
InChI:
InChI=1S/C9H15NO3/c1-4-7(5-2)8(10-6-11)9(12)13-3/h6H,4-5H2,1-3H3,(H,10,11)
InChI Key:
LTSGPICJYPEMID-UHFFFAOYSA-N
SMILES:
O=CNC(=C(CC)CC)C(=O)OC
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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