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70814-39-0 | 2H-PYRROLO[2,3-G]BENZOXAZOLE
CAS No: 70814-39-0 Catalog No: AG005QUO MDL No:MFCD18815140
Product Description
Catalog Number:
AG005QUO
Chemical Name:
2H-PYRROLO[2,3-G]BENZOXAZOLE
CAS Number:
70814-39-0
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
MDL Number:
MFCD18815140
IUPAC Name:
2H-pyrrolo[2,3-g][1,3]benzoxazole
InChI:
InChI=1S/C9H6N2O/c1-2-8-9(12-5-11-8)6-3-4-10-7(1)6/h1-4H,5H2
InChI Key:
PXITYTUBKOKYBD-UHFFFAOYSA-N
SMILES:
C1=Cc2c(=N1)ccc1=NCOc21
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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