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1027757-05-6 | Buanedioic acid, 2-isocyano-, 1,4-bis(1,1-dimethylethyl) ester
CAS No: 1027757-05-6 Catalog No: AG0008C7 MDL No:
Product Description
Catalog Number:
AG0008C7
Chemical Name:
Buanedioic acid, 2-isocyano-, 1,4-bis(1,1-dimethylethyl) ester
CAS Number:
1027757-05-6
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
IUPAC Name:
ditert-butyl 2-isocyanobutanedioate
InChI:
InChI=1S/C13H21NO4/c1-12(2,3)17-10(15)8-9(14-7)11(16)18-13(4,5)6/h9H,8H2,1-6H3
InChI Key:
JNMQDAODIJHZRX-UHFFFAOYSA-N
SMILES:
[C-]#[N+]C(C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.314g/mol
Monoisotopic Mass:
255.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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