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Home > Pyridines > 145530-96-7
145530-96-7 | Carbonic acid, 1,1-dimethylethyl 3-pyridinyl ester
CAS No: 145530-96-7 Catalog No: AG001D5G MDL No:
Product Description
Catalog Number:
AG001D5G
Chemical Name:
Carbonic acid, 1,1-dimethylethyl 3-pyridinyl ester
CAS Number:
145530-96-7
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
tert-butyl pyridin-3-yl carbonate
InChI:
InChI=1S/C10H13NO3/c1-10(2,3)14-9(12)13-8-5-4-6-11-7-8/h4-7H,1-3H3
InChI Key:
COLRXZGZEFRDFC-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Oc1cccnc1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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