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1172623-95-8 | Carbamic acid, N-[1-[(methoxymethylamino)carbonyl]-3-butyn-1-yl]-, 1,1-dimethylethyl ester
CAS No: 1172623-95-8 Catalog No: AG000DZY MDL No:MFCD24470975
Product Description
Catalog Number:
AG000DZY
Chemical Name:
Carbamic acid, N-[1-[(methoxymethylamino)carbonyl]-3-butyn-1-yl]-, 1,1-dimethylethyl ester
CAS Number:
1172623-95-8
Molecular Formula:
C12H20N2O4
Molecular Weight:
256.2982
MDL Number:
MFCD24470975
IUPAC Name:
tert-butyl N-[1-[methoxy(methyl)amino]-1-oxopent-4-yn-2-yl]carbamate
InChI:
InChI=1S/C12H20N2O4/c1-7-8-9(10(15)14(5)17-6)13-11(16)18-12(2,3)4/h1,9H,8H2,2-6H3,(H,13,16)
InChI Key:
NWNAEETYPITDNG-UHFFFAOYSA-N
SMILES:
COCNC(=O)C(NC(=O)OC(C)(C)C)CC#C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.302g/mol
Monoisotopic Mass:
256.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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