5273621
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8
8
8
6
6
6
6
6
6
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
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1
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1
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1
2
1
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2
1
1
1
1
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1
1
2
1
1
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1
1
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1
6
4
19
7
18
5
2
1
1
5
255
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7.1962
7.1962
8.9282
3.732
6.3301
4.5981
5.4641
6.3301
7.1962
2.866
3.732
8.0622
2
2.866
8.0622
2
8.0622
5.4641
4.5981
5.7932
2.866
4.269
8.5991
1.4631
2.866
1.4631
8.3722
8.5991
7.7522
-1
2
-1
-1
-0.5
-0.5
-1
0.5
1
-0.5
-2
0.5
-1
-2.5
-0.5
-2
2.5
-1.62
0.12
0.81
0.12
-2.31
0.81
-0.69
-3.12
-2.31
1.9631
2.81
3.0369
8
8
8
8
8
8
8
8
8
8
8
8
1
1
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
371
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
0
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C0703000000000000000000000000000000000000000304000000000000000010000001A00000000000C04809802320880000400880220D208000208002020000888000000C808242280311082300020800008A9070080000E00000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-methoxy-6-[(E)-styryl]pyran-2-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-methoxy-6-[(E)-2-phenylethenyl]-2-pyranone
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-methoxy-6-[(E)-styryl]pyran-2-one
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
DKKJNZYHGRUXBS-BQYQJAHWSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
228.078644
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C14H12O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
228.24328
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC(=O)OC(=C1)C=CC2=CC=CC=C2
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC(=O)OC(=C1)/C=C/C2=CC=CC=C2
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
35.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
228.078644
17
0
0
0
1
1
0
0
1
1