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131667-57-7 | 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, 1,1-dimethylethyl ester
CAS No: 131667-57-7 Catalog No: AG000ZKA MDL No:MFCD00798175
Product Description
Catalog Number:
AG000ZKA
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, 1,1-dimethylethyl ester
CAS Number:
131667-57-7
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
MDL Number:
MFCD00798175
IUPAC Name:
tert-butyl 3,4-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h5,7H,4,6,8H2,1-3H3
InChI Key:
VIBQTJLMJANION-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC=C1)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:
1.9
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