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26774-88-9 | (R)-2-Amino-2-(cyclohexa-1,4-dien-1-yl)acetic acid
CAS No: 26774-88-9 Catalog No: AG003C2H MDL No:MFCD00137746
Product Description
Catalog Number:
AG003C2H
Chemical Name:
(R)-2-Amino-2-(cyclohexa-1,4-dien-1-yl)acetic acid
CAS Number:
26774-88-9
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD00137746
IUPAC Name:
(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetic acid
InChI:
InChI=1S/C8H11NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,5,7H,3-4,9H2,(H,10,11)/t7-/m1/s1
InChI Key:
JBJJTCGQCRGNOL-SSDOTTSWSA-N
SMILES:
N[C@H](C1=CCC=CC1)C(=O)O
UNII:
451NQ27TG5
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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