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124045-51-8 | Carbamic acid, N-methyl-N-2-propyn-1-yl-, 1,1-dimethylethyl ester
CAS No: 124045-51-8 Catalog No: AG000LFU MDL No:MFCD22548360
Product Description
Catalog Number:
AG000LFU
Chemical Name:
Carbamic acid, N-methyl-N-2-propyn-1-yl-, 1,1-dimethylethyl ester
CAS Number:
124045-51-8
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
MDL Number:
MFCD22548360
IUPAC Name:
tert-butyl N-methyl-N-prop-2-ynylcarbamate
InChI:
InChI=1S/C9H15NO2/c1-6-7-10(5)8(11)12-9(2,3)4/h1H,7H2,2-5H3
InChI Key:
QVMLIHFGUIRVKU-UHFFFAOYSA-N
SMILES:
CN(C(=O)OC(C)(C)C)CC#C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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