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Home > Pyridines > 877593-11-8
877593-11-8 | Carbamic acid, [3-(hydroxymethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS No: 877593-11-8 Catalog No: AG00IER6 MDL No:MFCD04035601
Product Description
Catalog Number:
AG00IER6
Chemical Name:
Carbamic acid, [3-(hydroxymethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS Number:
877593-11-8
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
MDL Number:
MFCD04035601
IUPAC Name:
tert-butyl N-[3-(hydroxymethyl)pyridin-2-yl]carbamate
InChI:
InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-9-8(7-14)5-4-6-12-9/h4-6,14H,7H2,1-3H3,(H,12,13,15)
InChI Key:
KSYLRXQTEZEGQP-UHFFFAOYSA-N
SMILES:
OCc1cccnc1NC(=O)OC(C)(C)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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