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1260836-36-9 | Cyclopentanecarboxylic acid, 4-methylene-2-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS No: 1260836-36-9 Catalog No: AG000RF0 MDL No:
Product Description
Catalog Number:
AG000RF0
Chemical Name:
Cyclopentanecarboxylic acid, 4-methylene-2-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS Number:
1260836-36-9
Molecular Formula:
C16H19NO4
Molecular Weight:
289.3264
IUPAC Name:
methyl 4-methylidene-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
InChI:
InChI=1S/C16H19NO4/c1-11-8-13(15(18)20-2)14(9-11)17-16(19)21-10-12-6-4-3-5-7-12/h3-7,13-14H,1,8-10H2,2H3,(H,17,19)
InChI Key:
GGCLQRQLUORGAH-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(=C)CC1NC(=O)OCc1ccccc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.331g/mol
Monoisotopic Mass:
289.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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