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161946-18-5 | Carbamic acid, N,N-dimethyl-, 3-butyn-1-yl ester
CAS No: 161946-18-5 Catalog No: AG001SJC MDL No:
Product Description
Catalog Number:
AG001SJC
Chemical Name:
Carbamic acid, N,N-dimethyl-, 3-butyn-1-yl ester
CAS Number:
161946-18-5
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
IUPAC Name:
but-3-ynyl N,N-dimethylcarbamate
InChI:
InChI=1S/C7H11NO2/c1-4-5-6-10-7(9)8(2)3/h1H,5-6H2,2-3H3
InChI Key:
RNXIUGSHQORZDO-UHFFFAOYSA-N
SMILES:
CN(C(=O)OCCC#C)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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