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147700-97-8 | 4-Pentynoic acid, 2-amino-3-methyl-, (2S,3S)-
CAS No: 147700-97-8 Catalog No: AG001F4L MDL No:
Product Description
Catalog Number:
AG001F4L
Chemical Name:
4-Pentynoic acid, 2-amino-3-methyl-, (2S,3S)-
CAS Number:
147700-97-8
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
IUPAC Name:
(2S,3S)-2-amino-3-methylpent-4-ynoic acid
InChI:
InChI=1S/C6H9NO2/c1-3-4(2)5(7)6(8)9/h1,4-5H,7H2,2H3,(H,8,9)/t4-,5-/m0/s1
InChI Key:
AMSDVEVGCSHYJE-WHFBIAKZSA-N
SMILES:
C#C[C@@H]([C@@H](C(=O)O)N)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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