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1169936-04-2 | 1-Cyclopentene-1-carboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS No: 1169936-04-2 Catalog No: AG000DGT MDL No:MFCD24532039
Product Description
Catalog Number:
AG000DGT
Chemical Name:
1-Cyclopentene-1-carboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS Number:
1169936-04-2
Molecular Formula:
C12H19NO4
Molecular Weight:
241.2836
MDL Number:
MFCD24532039
IUPAC Name:
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentene-1-carboxylate
InChI:
InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-9-6-5-8(7-9)10(14)16-4/h5,9H,6-7H2,1-4H3,(H,13,15)
InChI Key:
BPVUUOLKMLXVJR-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CCC(C1)NC(=O)OC(C)(C)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.287g/mol
Monoisotopic Mass:
241.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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