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1150697-96-3 | 6-Heptenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2R)-
CAS No: 1150697-96-3 Catalog No: AG000FUK MDL No:
Product Description
Catalog Number:
AG000FUK
Chemical Name:
6-Heptenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2R)-
CAS Number:
1150697-96-3
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
IUPAC Name:
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-enoic acid
InChI:
InChI=1S/C12H21NO4/c1-5-6-7-8-9(10(14)15)13-11(16)17-12(2,3)4/h5,9H,1,6-8H2,2-4H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChI Key:
WPKPUPUWFHDYRR-SECBINFHSA-N
SMILES:
C=CCCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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