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141206-49-7 | Butanoic acid, 2-ethyl-2-(formylamino)-
CAS No: 141206-49-7 Catalog No: AG001G25 MDL No:
Product Description
Catalog Number:
AG001G25
Chemical Name:
Butanoic acid, 2-ethyl-2-(formylamino)-
CAS Number:
141206-49-7
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
IUPAC Name:
2-ethyl-2-formamidobutanoic acid
InChI:
InChI=1S/C7H13NO3/c1-3-7(4-2,6(10)11)8-5-9/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChI Key:
QVHJIAPUHHMYNQ-UHFFFAOYSA-N
SMILES:
O=CNC(C(=O)O)(CC)CC
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.185g/mol
Monoisotopic Mass:
159.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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