62443 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 8 8 8 8 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 2 2 3 3 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 15 15 16 5 7 6 8 9 11 10 12 7 9 17 8 10 18 19 20 21 22 23 24 25 26 13 15 14 16 14 27 28 16 29 30 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 5 1 7 9 17 3 1 6 2 8 10 18 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 2 3.732 3.366 3.366 2.5 4.232 3 4.732 2.5 4.232 3.366 3.366 2.5 2.5 4.232 4.232 1.9011 3.6332 3.1077 3.5826 5.3147 4.8397 2.288 1.8894 4.4441 4.8426 1.9631 1.9631 4.769 4.769 -4.366 4.366 -2 2 -3.5 3.5 -4.366 4.366 -2.5 2.5 -1 1 -0.5 0.5 -0.5 0.5 -3.3395 3.3395 -4.9766 -4.154 4.154 4.9766 -1.9174 -2.6077 1.9174 2.6077 -0.81 0.81 -0.81 0.81 3 3 8 8 8 8 8 8 5 6 11 11 12 12 13 15 9 10 13 15 14 16 14 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 201 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0703800000000000000000000001224000000000000300000000000000000010000001A00000000000814A090023006800004008000204200000208002020000888000608880D262284311A823820A5C0110AA807C040000001000000000000000200000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[[4-(2-oxiranylmethoxy)phenoxy]methyl]oxirane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4-glycidoxyphenoxy)methyl]oxirane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H14O4/c1-2-10(14-6-12-8-16-12)4-3-9(1)13-5-11-7-15-11/h1-4,11-12H,5-8H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FSYPIGPPWAJCJG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 222.08920892 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H14O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 222.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C(O1)COC2=CC=C(C=C2)OCC3CO3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C(O1)COC2=CC=C(C=C2)OCC3CO3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 43.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 222.08920892 16 2 0 2 0 0 0 0 1 1