Home Carboxys 1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-1-carboxylic acid

1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-1-carboxylic acid

CAS No.:
1214086-91-5
Catalog Number:
AG01B9GQ
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
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Product Description
Catalog Number:
AG01B9GQ
Chemical Name:
1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-1-carboxylic acid
CAS Number:
1214086-91-5
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD16653012
IUPAC Name:
1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid
InChI:
InChI=1S/C8H10N2O2/c11-8(12)7-6-2-1-4-10(6)5-3-9-7/h1-2,4,7,9H,3,5H2,(H,11,12)
InChI Key:
UCOVVOQXWHGWRK-UHFFFAOYSA-N
SMILES:
OC(=O)C1NCCn2c1ccc2
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7  
Properties