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2090613-55-9 | 2-methoxypyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CAS No: 2090613-55-9 Catalog No: AG01BVA8 MDL No:MFCD30632941
Product Description
Catalog Number:
AG01BVA8
Chemical Name:
2-methoxypyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CAS Number:
2090613-55-9
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD30632941
IUPAC Name:
2-methoxypyrazolo[1,5-a]pyrimidine-6-carbaldehyde
InChI:
InChI=1S/C8H7N3O2/c1-13-8-2-7-9-3-6(5-12)4-11(7)10-8/h2-5H,1H3
InChI Key:
WIXNTNHDMLAGDE-UHFFFAOYSA-N
SMILES:
COc1nn2c(c1)ncc(c2)C=O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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