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1279872-65-9 | Acetic acid, 2-[4-[[(1,1-dimethylethoxy)carbonyl]amino]cyclohexylidene]-, methyl ester
CAS No: 1279872-65-9 Catalog No: AG000XN3 MDL No:MFCD24384125
Product Description
Catalog Number:
AG000XN3
Chemical Name:
Acetic acid, 2-[4-[[(1,1-dimethylethoxy)carbonyl]amino]cyclohexylidene]-, methyl ester
CAS Number:
1279872-65-9
Molecular Formula:
C14H23NO4
Molecular Weight:
269.3367
MDL Number:
MFCD24384125
IUPAC Name:
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexylidene]acetate
InChI:
InChI=1S/C14H23NO4/c1-14(2,3)19-13(17)15-11-7-5-10(6-8-11)9-12(16)18-4/h9,11H,5-8H2,1-4H3,(H,15,17)
InChI Key:
KDZFHBXTEAFVLE-UHFFFAOYSA-N
SMILES:
COC(=O)C=C1CCC(CC1)NC(=O)OC(C)(C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.341g/mol
Monoisotopic Mass:
269.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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