5354436
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36
8
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
1
1
1
1
1
1
1
1
1
1
1
1
2
2
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7
17
10
18
14
15
14
6
8
9
7
19
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21
12
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14
22
23
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16
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30
31
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36
1
1
1
1
1
1
2
2
1
1
1
1
2
2
1
2
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
8
5
20
11
14
13
2
1
1
5
255
1
2
3
4
5
6
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2.866
4.5981
7.1962
6.3301
4.5981
3.732
3.732
4.5981
5.4641
4.5981
5.4641
5.4641
5.4641
6.3301
8.0622
8.9282
2
5.4641
3.1951
4.0611
6.001
6.001
6.0841
5.4641
4.8441
7.6636
8.4607
9.2382
9.4651
8.6182
2.31
1.4631
1.69
5.1541
6.001
5.7741
-1.5
-2.5
2
0.5
0.5
0
-1
1.5
0
-1.5
2
-1
3
1.5
1.5
2
-1
-3
0.31
1.81
0.31
-1.31
3
3.62
3
1.025
1.025
1.4631
2.31
2.5369
-0.4631
-0.69
-1.5369
-3.5369
-3.31
-2.4631
8
8
8
8
8
8
5
5
6
7
9
10
6
9
7
10
12
12
0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
298
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
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
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E0703800000000000000000000000000000000000000300000000000000000010000001A00000000000C04A09802320E80000400880220D208000208002020000888010688C80D262284311A82302224C0110AA98780C0100E20000100000040004000020000008000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
ethyl (Z)-3-(3,4-dimethoxyphenyl)-2-methyl-prop-2-enoate
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
(Z)-3-(3,4-dimethoxyphenyl)-2-methyl-2-propenoic acid ethyl ester
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
ethyl (Z)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enoate
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
ethyl (Z)-3-(3,4-dimethoxyphenyl)-2-methyl-prop-2-enoate
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
(Z)-3-(3,4-dimethoxyphenyl)-2-methyl-acrylic acid ethyl ester
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C14H18O4/c1-5-18-14(15)10(2)8-11-6-7-12(16-3)13(9-11)17-4/h6-9H,5H2,1-4H3/b10-8-
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
BPMDLJWWBWXCSN-NTMALXAHSA-N
Log P
XLogP3
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
250.120509
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C14H18O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
250.29032
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCOC(=O)C(=CC1=CC(=C(C=C1)OC)OC)C
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCOC(=O)/C(=C\C1=CC(=C(C=C1)OC)OC)/C
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
44.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
250.120509
18
0
0
0
1
1
0
0
1
1