280 1 2 3 8 8 6 1 2 3 3 2 2 1 5 255 1 2 3 3.732 2 2.866 0.5 -0.5 0 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 18.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371000030000000000000000000000000000000000000000000000000000000000000000002000000000000000000000008000000000800000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 carbon dioxide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 carbon dioxide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 carbon dioxide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 carbon dioxide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 carbon dioxide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/CO2/c2-1-3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 CURLTUGMZLYLDI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 43.989829 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 CO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 44.0095 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(=O)=O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(=O)=O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 34.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 43.989829 3 0 0 0 0 0 0 0 1 1