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304873-65-2 | Carbamic acid, N-(4-formyl-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 304873-65-2 Catalog No: AG0030BS MDL No:MFCD09757496
Product Description
Catalog Number:
AG0030BS
Chemical Name:
Carbamic acid, N-(4-formyl-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
304873-65-2
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD09757496
IUPAC Name:
tert-butyl N-(4-formylpyridin-2-yl)carbamate
InChI:
InChI=1S/C11H14N2O3/c1-11(2,3)16-10(15)13-9-6-8(7-14)4-5-12-9/h4-7H,1-3H3,(H,12,13,15)
InChI Key:
KLQQTJMQHIOKJL-UHFFFAOYSA-N
SMILES:
O=Cc1ccnc(c1)NC(=O)OC(C)(C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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