Home Carboxys diexo-3-Amino-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

diexo-3-Amino-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

CAS No.:
783340-43-2
Catalog Number:
AG005MQJ
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
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Product Description
Catalog Number:
AG005MQJ
Chemical Name:
diexo-3-Amino-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CAS Number:
783340-43-2
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD07783748
IUPAC Name:
(1R,2S,3R,4S)-3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
InChI:
InChI=1S/C7H9NO3/c8-6-4-2-1-3(11-4)5(6)7(9)10/h1-6H,8H2,(H,9,10)/t3-,4+,5-,6+/m1/s1
InChI Key:
YKLWNGBAMDGQQX-MOJAZDJTSA-N
SMILES:
OC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]1N)O2
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9  
Properties