284
1
2
3
4
5
8
8
6
1
1
1
1
2
3
3
5
3
4
1
1
2
1
1
3
1
2
3
4
5
3.732
2
2.866
2.866
4.269
0.56
0.56
0.06
-0.56
0.25
0
Compound
Canonicalized
5
2011.04.04
1
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
46.02538
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
46.005479
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
46.005479
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
CH2O2
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
BDAGIHXWWSANSR-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.04.04
-0.2
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.04.04
C(=O)O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.04.04
C(=O)O
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.04.04
formic acid
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.04.04
formic acid
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.04.04
formic acid
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.04.04
formic acid
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.04.04
methanoic acid
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.04.04
1
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.04.04
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.04.04
0
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.04.04
10.3
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.04.04
37.3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.04.04
00000371000030000000000000000000000000000000000000000000000000000000000000000012000008000000000000030008000002000800000088000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000
3
0
0
0
0
0
0
0
1
1