5281706
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6.3301
9.8602
8.0785
6.3301
3.732
2
7.1962
5.4641
7.1962
6.3301
4.5981
8.0901
5.4641
8.0901
8.9962
8.9962
3.732
4.5981
2.866
3.732
2.866
9.8564
8.0829
4.9272
9.5319
5.135
2.3291
3.732
8.6118
3.1951
10.4764
9.854
9.2364
2
1.5479
1.5721
-1.4867
-1.4521
1.0479
-1.9521
0.0479
0.0479
1.0479
-0.4521
-0.4521
-0.4867
1.0479
1.5826
1.0687
0.0271
0.0479
-1.4521
-0.4521
-1.9521
-1.4521
2.5721
2.2026
1.3579
-0.285
-1.7621
-0.1421
-2.5721
-1.8028
1.3579
2.5745
3.1921
2.5697
-2.5721
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
1
1
7
7
7
8
8
9
11
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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
462
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
6
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
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C0783800000000000000000000000000000000000000306080000000000000814000001A00000800000C04A098023206800006008802A05200000208002420000888010608C80C273686351A80716025E01508B9878AECFCCE20000008000800004000001000100000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromen-4-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-1-benzopyran-4-one
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[2,4-bis(oxidanyl)phenyl]-7-methoxy-5-oxidanyl-chromen-4-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromone
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-11(16(15)20)10-3-2-8(17)4-12(10)18/h2-7,17-19H,1H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
ALFNTRJPGFNJQV-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
300.063388
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C16H12O6
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
300.26288
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC(=C2C(=C1)OC=C(C2=O)C3=C(C=C(C=C3)O)O)O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC(=C2C(=C1)OC=C(C2=O)C3=C(C=C(C=C3)O)O)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
96.2
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
300.063388
22
0
0
0
0
0
0
0
1
45