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133000-68-7 | 2-Pentenoic acid, 2-(acetylamino)-3-methyl-
CAS No: 133000-68-7 Catalog No: AG0011IO MDL No:
Product Description
Catalog Number:
AG0011IO
Chemical Name:
2-Pentenoic acid, 2-(acetylamino)-3-methyl-
CAS Number:
133000-68-7
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
IUPAC Name:
2-acetamido-3-methylpent-2-enoic acid
InChI:
InChI=1S/C8H13NO3/c1-4-5(2)7(8(11)12)9-6(3)10/h4H2,1-3H3,(H,9,10)(H,11,12)
InChI Key:
ZBXZSFIACBVEBC-UHFFFAOYSA-N
SMILES:
CCC(=C(C(=O)O)NC(=O)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:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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