441777
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6.8671
5.135
10.3972
8.6155
4.269
2.5369
7.7331
7.7331
6.001
5.135
6.001
6.8671
8.627
8.627
9.5331
5.135
9.5331
4.269
4.269
3.403
3.403
11.2651
5.135
6.8671
8.6199
5.672
10.0688
4.269
2.866
5.135
9.1488
10.9572
11.8033
11.5731
2
5.445
5.672
4.825
0.1754
-1.8246
0.1995
-2.8592
2.6754
1.6754
-1.3246
-0.3246
-0.3246
0.1754
-1.3246
-1.8246
-1.8593
0.2101
-0.3038
1.1754
-1.3454
-0.3246
1.6754
0.1754
1.1754
-0.2971
3.1754
-2.4446
0.83
1.4854
-1.6575
-0.9446
-0.1346
-2.4446
-3.1754
-0.8352
-0.605
0.241
1.3654
2.6385
3.4854
3.7123
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1
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
391
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
3
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
00000371C078380000000000000000000000000000000000000034608000000000000091F400001A00000800000C048098023206C00006408802A05200020208002420000888014688C80D273686351A827963A5E0150BB987CAECFCCE20000108000840004000021000108000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-chromenylium-3,5-diol
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-1-benzopyrylium-3,5-diol
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromenylium-3,5-diol
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)chromenylium-3,5-diol
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-1-benzopyrylium-3,5-diol
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C17H14O6/c1-21-10-6-13(19)11-8-14(20)17(23-15(11)7-10)9-3-4-12(18)16(5-9)22-2/h3-8H,1-2H3,(H2-,18,19,20)/p+1
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
GNONHFYAESLOCB-UHFFFAOYSA-O
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
315.086863
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C17H15O6+
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
315.2974
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC2=[O+]C(=C(C=C2C(=C1)O)O)C3=CC(=C(C=C3)O)OC
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC2=[O+]C(=C(C=C2C(=C1)O)O)C3=CC(=C(C=C3)O)OC
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
80.2
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
315.086863
23
0
0
0
0
0
0
0
1
69