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88547-24-4 | Ac-4,5-dehydro-L-leucine
CAS No: 88547-24-4 Catalog No: AG004CQF MDL No:MFCD00237465
Product Description
Catalog Number:
AG004CQF
Chemical Name:
Ac-4,5-dehydro-L-leucine
CAS Number:
88547-24-4
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD00237465
IUPAC Name:
(2S)-2-acetamido-4-methylpent-4-enoic acid
InChI:
InChI=1S/C8H13NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h7H,1,4H2,2-3H3,(H,9,10)(H,11,12)/t7-/m0/s1
InChI Key:
XWBXANFRXWKOCS-ZETCQYMHSA-N
SMILES:
CC(=C)C[C@@H](C(=O)O)NC(=O)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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