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771565-48-1 | 5H-Cyclobut[e]oxazolo[3,2-a]pyrimidine(9CI)
CAS No: 771565-48-1 Catalog No: AG008NVL MDL No:MFCD28049765
Product Description
Catalog Number:
AG008NVL
Chemical Name:
5H-Cyclobut[e]oxazolo[3,2-a]pyrimidine(9CI)
CAS Number:
771565-48-1
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
MDL Number:
MFCD28049765
IUPAC Name:
9-oxa-1,7-diazatricyclo[6.3.0.02,5]undeca-2(5),3,7,10-tetraene
InChI:
InChI=1S/C8H6N2O/c1-2-7-6(1)5-9-8-10(7)3-4-11-8/h1-4H,5H2
InChI Key:
RBKJBDBVDJVPSD-UHFFFAOYSA-N
SMILES:
C1N=c2occn2C2=C1C=C2
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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