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245727-70-2 | 2-Butenoic acid, 3-(acetylamino)-, 1-methylethyl ester, (2E)-
CAS No: 245727-70-2 Catalog No: AG002OM0 MDL No:
Product Description
Catalog Number:
AG002OM0
Chemical Name:
2-Butenoic acid, 3-(acetylamino)-, 1-methylethyl ester, (2E)-
CAS Number:
245727-70-2
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
IUPAC Name:
propan-2-yl 3-acetamidobut-2-enoate
InChI:
InChI=1S/C9H15NO3/c1-6(2)13-9(12)5-7(3)10-8(4)11/h5-6H,1-4H3,(H,10,11)
InChI Key:
UJHKMCNHWFYOMV-UHFFFAOYSA-N
SMILES:
CC(=O)N/C(=C/C(=O)OC(C)C)/C
Properties
Complexity:
231
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:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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