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162107-49-5 | Carbamic acid, N-[(1R)-1-(hydroxymethyl)-2-propyn-1-yl]-, 1,1-dimethylethyl ester
CAS No: 162107-49-5 Catalog No: AG001SRQ MDL No:MFCD12545981
Product Description
Catalog Number:
AG001SRQ
Chemical Name:
Carbamic acid, N-[(1R)-1-(hydroxymethyl)-2-propyn-1-yl]-, 1,1-dimethylethyl ester
CAS Number:
162107-49-5
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
MDL Number:
MFCD12545981
IUPAC Name:
tert-butyl N-[(2R)-1-hydroxybut-3-yn-2-yl]carbamate
InChI:
InChI=1S/C9H15NO3/c1-5-7(6-11)10-8(12)13-9(2,3)4/h1,7,11H,6H2,2-4H3,(H,10,12)/t7-/m1/s1
InChI Key:
LFPILXPLMVYREQ-SSDOTTSWSA-N
SMILES:
OC[C@H](NC(=O)OC(C)(C)C)C#C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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