723848
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8
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8
6
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26
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33
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255
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9.8222
6.3301
2
2
11.5923
5.4641
8.9282
8.9282
9.8222
8.0622
7.1962
8.0622
7.1962
10.7282
9.8106
4.5981
10.7282
3.732
2.866
5.4641
2.866
4.5981
3.732
2
2
8.0622
8.0622
6.6592
11.2639
9.1906
9.8034
10.4305
3.732
5.135
3.732
1.38
2
2.62
2.62
2
1.38
0.302
0.2673
-0.2327
1.7673
0.2914
-1.2327
-1.2327
-0.2327
-1.7674
-1.7327
-0.2327
0.2673
-1.2327
-1.2535
-2.7673
0.2673
-0.2119
-0.2327
0.2673
-0.2327
1.2673
1.2673
1.7673
-1.2327
2.7673
-2.3527
0.8873
-1.5427
-1.5656
-2.7601
-3.3873
-2.7745
-0.8527
1.5773
2.3873
-1.2327
-1.8527
-1.2327
2.7673
3.3873
2.7673
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
1
1
7
7
7
8
9
10
11
11
14
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22
8
17
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23
23
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
542
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
0
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E0783800000000000000000000000000000000000000306080000000000000814000001A00000000000C04809802320E80000400880220D208000208002420000888010688C80D273284351A823B22A5C0150AA987CAECBCCE20000108000840004000021000108000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
(4-methyl-2-oxo-chromen-7-yl) 3,4-dimethoxybenzoate
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
3,4-dimethoxybenzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
(4-methyl-2-oxochromen-7-yl) 3,4-dimethoxybenzoate
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(4-methyl-2-oxidanylidene-chromen-7-yl) 3,4-dimethoxybenzoate
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
3,4-dimethoxybenzoic acid (2-keto-4-methyl-chromen-7-yl) ester
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C19H16O6/c1-11-8-18(20)25-16-10-13(5-6-14(11)16)24-19(21)12-4-7-15(22-2)17(9-12)23-3/h4-10H,1-3H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
IASFUQGIUDOCHV-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
340.094688
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C19H16O6
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
340.32674
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=C(C=C3)OC)OC
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=C(C=C3)OC)OC
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
71.1
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
340.094688
25
0
0
0
0
0
0
0
1
1