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2059965-67-0 | 2,7-dimethyl-4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-4-one
CAS No: 2059965-67-0 Catalog No: AG01BYTF MDL No:MFCD30487418
Product Description
Catalog Number:
AG01BYTF
Chemical Name:
2,7-dimethyl-4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-4-one
CAS Number:
2059965-67-0
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD30487418
IUPAC Name:
2,7-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C9H12N2O/c1-6-3-8-10-7(2)4-9(12)11(8)5-6/h4,6H,3,5H2,1-2H3
InChI Key:
AJMYAUWJKIZHML-UHFFFAOYSA-N
SMILES:
CC1Cn2c(C1)nc(cc2=O)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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