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149990-27-2 | Carbamic acid, N-3-butyn-1-yl-, 1,1-dimethylethyl ester
CAS No: 149990-27-2 Catalog No: AG001M78 MDL No:MFCD10698150
Product Description
Catalog Number:
AG001M78
Chemical Name:
Carbamic acid, N-3-butyn-1-yl-, 1,1-dimethylethyl ester
CAS Number:
149990-27-2
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
MDL Number:
MFCD10698150
IUPAC Name:
tert-butyl N-but-3-ynylcarbamate
InChI:
InChI=1S/C9H15NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h1H,6-7H2,2-4H3,(H,10,11)
InChI Key:
BWNQTGRBVMERHU-UHFFFAOYSA-N
SMILES:
C#CCCNC(=O)OC(C)(C)C
Properties
Complexity:
194
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:
1
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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