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1260802-30-9 | Cyclopentanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methylene-
CAS No: 1260802-30-9 Catalog No: AG000RBF MDL No:
Product Description
Catalog Number:
AG000RBF
Chemical Name:
Cyclopentanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methylene-
CAS Number:
1260802-30-9
Molecular Formula:
C12H19NO4
Molecular Weight:
241.2836
IUPAC Name:
4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C12H19NO4/c1-7-5-8(10(14)15)9(6-7)13-11(16)17-12(2,3)4/h8-9H,1,5-6H2,2-4H3,(H,13,16)(H,14,15)
InChI Key:
XDCPEAITKWRVEB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CC(=C)CC1C(=O)O
Properties
Complexity:
343
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:
2
Isotope Atom Count:
0
Molecular Weight:
241.287g/mol
Monoisotopic Mass:
241.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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