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1231709-27-5 | 4-Pentynoic acid, 2-amino-2-methyl-, (2S)-
CAS No: 1231709-27-5 Catalog No: AG000K3L MDL No:MFCD10567140
Product Description
Catalog Number:
AG000K3L
Chemical Name:
4-Pentynoic acid, 2-amino-2-methyl-, (2S)-
CAS Number:
1231709-27-5
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD10567140
IUPAC Name:
(2S)-2-amino-2-methylpent-4-ynoic acid
InChI:
InChI=1S/C6H9NO2/c1-3-4-6(2,7)5(8)9/h1H,4,7H2,2H3,(H,8,9)/t6-/m0/s1
InChI Key:
FSBNDYYRTZBHAN-LURJTMIESA-N
SMILES:
C[C@@](C(=O)O)(CC#C)N
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
-2.6
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