200,000+ products from a single source!
sales@angenechem.com
125736-23-4 | 9-Azabicyclo[4.2.1]non-2-ene-2-carboxylic acid, methyl ester, (1R)-, (2E)-2-butenedioate (1:1) (9CI)
CAS No: 125736-23-4 Catalog No: AG000OKS MDL No:
Product Description
Catalog Number:
AG000OKS
Chemical Name:
9-Azabicyclo[4.2.1]non-2-ene-2-carboxylic acid, methyl ester, (1R)-, (2E)-2-butenedioate (1:1) (9CI)
CAS Number:
125736-23-4
Molecular Formula:
C14H19NO6
Molecular Weight:
297.3038
IUPAC Name:
but-2-enedioic acid;methyl (1R)-9-azabicyclo[4.2.1]non-2-ene-2-carboxylate
InChI:
InChI=1S/C10H15NO2.C4H4O4/c1-13-10(12)8-4-2-3-7-5-6-9(8)11-7;5-3(6)1-2-4(7)8/h4,7,9,11H,2-3,5-6H2,1H3;1-2H,(H,5,6)(H,7,8)/t7?,9-;/m1./s1
InChI Key:
VPVSNEXELLKXCB-LJGVWRNTSA-N
SMILES:
OC(=O)/C=C/C(=O)O.COC(=O)C1=CCCC2N[C@@H]1CC2
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
297.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
297.307g/mol
Monoisotopic Mass:
297.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.