Mrv0541 02241221072D          

 10  8  0  0  0  0            999 V2000
   -1.0003    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2858    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2858   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4287    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1432    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9791    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9791   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6935    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4080    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004617

> <DATABASE_NAME>
chemdb

> <SMILES>
NC(=O)C=C.OC(=O)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C3H5NO.C3H4O2/c2*1-2-3(4)5/h2H,1H2,(H2,4,5);2H,1H2,(H,4,5)

> <INCHI_KEY>
RNIHAPSVIGPAFF-UHFFFAOYSA-N

> <FORMULA>
C6H9NO3

> <MOLECULAR_WEIGHT>
143.1406

> <EXACT_MASS>
143.058243159

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
6.878900124879026

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
prop-2-enamide; prop-2-enoic acid

> <JCHEM_LOGP>
-0.273995321

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.699757208504096

> <JCHEM_PKA_STRONGEST_BASIC>
0.8271135071417788

> <JCHEM_POLAR_SURFACE_AREA>
43.09

> <JCHEM_REFRACTIVITY>
19.113599999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
acrylamide; acrylic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
ACRYLAMIDE-ACRYLIC ACID RESIN

> <CAS>
9003-06-9

$$$$