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145887-88-3 | CERPEGIN
CAS No: 145887-88-3 Catalog No: AG00AQ5X MDL No:
Product Description
Catalog Number:
AG00AQ5X
Chemical Name:
CERPEGIN
CAS Number:
145887-88-3
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
IUPAC Name:
1,1-dimethyl-5H-furo[3,4-c]pyridine-3,4-dione
InChI:
InChI=1S/C9H9NO3/c1-9(2)5-3-4-10-7(11)6(5)8(12)13-9/h3-4H,1-2H3,(H,10,11)
InChI Key:
KHMVIOWJEDISGR-UHFFFAOYSA-N
SMILES:
O=C1OC(c2c1c(=O)[nH]cc2)(C)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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