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Home > Pyridines > 1051853-06-5
1051853-06-5 | tert-butyl 3-(pyridin-2-yl)prop-2-ynoate
CAS No: 1051853-06-5 Catalog No: AG01DREJ MDL No:MFCD30067459
Product Description
Catalog Number:
AG01DREJ
Chemical Name:
tert-butyl 3-(pyridin-2-yl)prop-2-ynoate
CAS Number:
1051853-06-5
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD30067459
IUPAC Name:
tert-butyl 3-pyridin-2-ylprop-2-ynoate
InChI:
InChI=1S/C12H13NO2/c1-12(2,3)15-11(14)8-7-10-6-4-5-9-13-10/h4-6,9H,1-3H3
InChI Key:
ZJFCMGQVTTVXNE-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)C#Cc1ccccn1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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