24805857
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8.0901
6.3301
4.5981
9.8602
3.732
8.0901
8.0785
7.1962
8.9387
7.1962
6.3301
8.9962
6.3301
8.9271
5.4641
5.4641
8.9962
3.732
2.866
2
7.4692
7.8598
9.548
9.1575
9.5319
6.3301
8.3072
8.92
9.5471
4.9272
5.7932
2.866
1.4631
2
2.2896
-0.7451
2.2549
2.2791
0.7549
0.2203
-0.7797
0.7549
-1.2896
1.7549
0.2549
0.7341
2.2549
-2.2896
0.7549
1.7549
1.7757
1.7549
2.2549
1.7549
-0.665
-1.3598
-1.4044
-0.7095
0.422
2.8749
-2.2824
-2.9095
-2.2968
0.4449
-1.0551
2.8749
2.0649
1.1349
8
8
8
8
8
8
8
8
8
8
8
1
1
6
6
8
8
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17
8
12
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16
0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
440
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
1
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
00000371C0703800000000000000000000000000000000000000304000000000000000810000001A00000800000C04809800320E80000600880220D208000208002020000888000608C80C272286311A827A20A5C01508B98780E0AC0E20000008000800004000001000100000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5-hydroxy-2-oxo-4-propyl-chromen-7-yl) prop-2-enoate
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-propenoic acid (5-hydroxy-2-oxo-4-propyl-1-benzopyran-7-yl) ester
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5-hydroxy-2-oxo-4-propylchromen-7-yl) prop-2-enoate
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5-oxidanyl-2-oxidanylidene-4-propyl-chromen-7-yl) prop-2-enoate
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
acrylic acid (5-hydroxy-2-keto-4-propyl-chromen-7-yl) ester
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C15H14O5/c1-3-5-9-6-14(18)20-12-8-10(19-13(17)4-2)7-11(16)15(9)12/h4,6-8,16H,2-3,5H2,1H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
RSWJLDGAVZEHPD-UHFFFAOYSA-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
274.084124
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C15H14O5
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
274.26866
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCC1=CC(=O)OC2=CC(=CC(=C12)O)OC(=O)C=C
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCC1=CC(=O)OC2=CC(=CC(=C12)O)OC(=O)C=C
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
72.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
274.084124
20
0
0
0
0
0
0
0
1
7