Home Other Building Blocks 1H,4H,5H,7H-pyrano[3,4-b]pyrrol-7-one

1H,4H,5H,7H-pyrano[3,4-b]pyrrol-7-one

CAS No.:
1123725-74-5
Catalog Number:
AG01A15G
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
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Product Description
Catalog Number:
AG01A15G
Chemical Name:
1H,4H,5H,7H-pyrano[3,4-b]pyrrol-7-one
CAS Number:
1123725-74-5
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD12923469
IUPAC Name:
4,5-dihydro-1H-pyrano[3,4-b]pyrrol-7-one
InChI:
InChI=1S/C7H7NO2/c9-7-6-5(1-3-8-6)2-4-10-7/h1,3,8H,2,4H2
InChI Key:
GGCHOXAZSLTWIP-UHFFFAOYSA-N
SMILES:
O=C1OCCc2c1[nH]cc2
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties