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6970-36-1 | 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[[3-(4-morpholinyl)propyl]amino]carbonyl]-
CAS No: 6970-36-1 Catalog No: AG005IVQ MDL No:
Product Description
Catalog Number:
AG005IVQ
Chemical Name:
7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[[3-(4-morpholinyl)propyl]amino]carbonyl]-
CAS Number:
6970-36-1
Molecular Formula:
C15H22N2O5
Molecular Weight:
310.3456
IUPAC Name:
3-(3-morpholin-4-ylpropylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
InChI:
InChI=1S/C15H22N2O5/c18-14(16-4-1-5-17-6-8-21-9-7-17)12-10-2-3-11(22-10)13(12)15(19)20/h2-3,10-13H,1,4-9H2,(H,16,18)(H,19,20)
InChI Key:
OPQPMVOMQCIOLA-UHFFFAOYSA-N
SMILES:
O=C(C1C2C=CC(C1C(=O)O)O2)NCCCN1CCOCC1
NSC Number:
47096
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.153g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.35g/mol
Monoisotopic Mass:
310.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3
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