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1174068-79-1 | Pyrrolo[1,2-a]pyrazine-2(1H)-carboxylic acid, 6-formyl-3,4-dihydro-, 1,1-dimethylethyl ester
CAS No: 1174068-79-1 Catalog No: AG000E9M MDL No:MFCD13195336
Product Description
Catalog Number:
AG000E9M
Chemical Name:
Pyrrolo[1,2-a]pyrazine-2(1H)-carboxylic acid, 6-formyl-3,4-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1174068-79-1
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
MDL Number:
MFCD13195336
IUPAC Name:
tert-butyl 6-formyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
InChI:
InChI=1S/C13H18N2O3/c1-13(2,3)18-12(17)14-6-7-15-10(8-14)4-5-11(15)9-16/h4-5,9H,6-8H2,1-3H3
InChI Key:
LDGNAVIMUAPFKH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2n1CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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