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1174068-78-0 | Pyrrolo[1,2-a]pyrazine-2(1H)-carboxylic acid, 3,4-dihydro-, 1,1-dimethylethyl ester
CAS No: 1174068-78-0 Catalog No: AG000E9N MDL No:MFCD13195335
Product Description
Catalog Number:
AG000E9N
Chemical Name:
Pyrrolo[1,2-a]pyrazine-2(1H)-carboxylic acid, 3,4-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1174068-78-0
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
MDL Number:
MFCD13195335
IUPAC Name:
tert-butyl 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
InChI:
InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-8-7-13-6-4-5-10(13)9-14/h4-6H,7-9H2,1-3H3
InChI Key:
YNCPJEVPKGVLGT-UHFFFAOYSA-N
SMILES:
O=C(N1CCn2c(C1)ccc2)OC(C)(C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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