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85838-94-4 | tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate
CAS No: 85838-94-4 Catalog No: AG0036D4 MDL No:MFCD04972245
Product Description
Catalog Number:
AG0036D4
Chemical Name:
tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate
CAS Number:
85838-94-4
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
MDL Number:
MFCD04972245
IUPAC Name:
tert-butyl 3,6-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-5H,6-8H2,1-3H3
InChI Key:
SHHHRQFHCPINIB-UHFFFAOYSA-N
SMILES:
O=C(N1CCC=CC1)OC(C)(C)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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