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245727-66-6 | 2-Pentenoic acid, 3-(acetylamino)-, methyl ester, (2Z)-
CAS No: 245727-66-6 Catalog No: AG002OM3 MDL No:
Product Description
Catalog Number:
AG002OM3
Chemical Name:
2-Pentenoic acid, 3-(acetylamino)-, methyl ester, (2Z)-
CAS Number:
245727-66-6
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
IUPAC Name:
methyl 3-acetamidopent-2-enoate
InChI:
InChI=1S/C8H13NO3/c1-4-7(9-6(2)10)5-8(11)12-3/h5H,4H2,1-3H3,(H,9,10)
InChI Key:
FRTOHWZTCUUHHY-UHFFFAOYSA-N
SMILES:
CC/C(=C/C(=O)OC)/NC(=O)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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