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1260893-79-5 | Cyclopentanecarboxylic acid, 3-oxo-1-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS No: 1260893-79-5 Catalog No: AG000RJI MDL No:
Product Description
Catalog Number:
AG000RJI
Chemical Name:
Cyclopentanecarboxylic acid, 3-oxo-1-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS Number:
1260893-79-5
Molecular Formula:
C15H17NO5
Molecular Weight:
291.2992
IUPAC Name:
methyl 3-oxo-1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
InChI:
InChI=1S/C15H17NO5/c1-20-13(18)15(8-7-12(17)9-15)16-14(19)21-10-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,16,19)
InChI Key:
MINMDHGEAXCNQI-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCC(=O)C1)NC(=O)OCc1ccccc1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.303g/mol
Monoisotopic Mass:
291.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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