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89724-73-2 | L-Aspartic acid, N-(cycloheptylcarbonyl)-, 4-methyl ester
CAS No: 89724-73-2 Catalog No: AG00430N MDL No:
Product Description
Catalog Number:
AG00430N
Chemical Name:
L-Aspartic acid, N-(cycloheptylcarbonyl)-, 4-methyl ester
CAS Number:
89724-73-2
Molecular Formula:
C13H20NO5-
Molecular Weight:
270.3016
IUPAC Name:
2-(cycloheptanecarbonylamino)-4-methoxy-4-oxobutanoate
InChI:
InChI=1S/C13H21NO5/c1-19-11(15)8-10(13(17)18)14-12(16)9-6-4-2-3-5-7-9/h9-10H,2-8H2,1H3,(H,14,16)(H,17,18)/p-1
InChI Key:
IJVFNXLKWHIFDQ-UHFFFAOYSA-M
SMILES:
COC(=O)C[C@@H](C(=O)[O-])NC(=O)C1CCCCCC1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.134g/mol
Formal Charge:
-1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.305g/mol
Monoisotopic Mass:
270.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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