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1011309-61-7 | 6-Heptenoic acid, 2-amino-2-methyl-, (2S)-
CAS No: 1011309-61-7 Catalog No: AG0003T9 MDL No:
Product Description
Catalog Number:
AG0003T9
Chemical Name:
6-Heptenoic acid, 2-amino-2-methyl-, (2S)-
CAS Number:
1011309-61-7
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
IUPAC Name:
(2S)-2-amino-2-methylhept-6-enoic acid
InChI:
InChI=1S/C8H15NO2/c1-3-4-5-6-8(2,9)7(10)11/h3H,1,4-6,9H2,2H3,(H,10,11)/t8-/m0/s1
InChI Key:
AERCCJGORROTKW-QMMMGPOBSA-N
SMILES:
C=CCCC[C@@](C(=O)O)(N)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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