4276 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 8 8 8 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 2 2 3 3 4 4 4 5 5 6 7 8 9 10 10 10 11 11 12 12 13 13 13 14 14 5 11 6 11 7 13 8 9 10 6 7 8 9 15 16 12 17 18 19 20 14 21 22 23 24 25 26 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 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 7.2764 7.2764 5.4641 4.5981 6.3301 6.3301 5.4641 5.4641 4.5981 3.732 7.86 2.866 4.5981 2 5.4641 4.0611 3.3335 4.1306 8.3208 8.3208 2.866 4.9081 4.0611 4.2881 1.4631 2 0.0547 -1.5547 1.25 -1.25 -0.25 -1.25 0.25 -1.75 -0.25 -1.75 -0.75 -1.25 1.75 -1.75 -2.37 0.06 -2.225 -2.225 -1.1647 -0.3353 -0.63 2.2869 2.06 1.2131 -1.44 -2.37 8 8 8 8 8 8 4 4 5 5 6 7 8 9 6 7 8 9 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 205 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0703000000000000000000000000000000120000000300000000000000048010000001A00000000000C04809803320E800004008002204200000208002020000888000688881D272284311AA0302225C0150EA80780E0BC0E20000108000040004000021000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-allyl-4-methoxy-1,3-benzodioxole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-6-prop-2-enyl-1,3-benzodioxole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-6-prop-2-enyl-1,3-benzodioxole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-6-prop-2-enyl-1,3-benzodioxole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-6-prop-2-enyl-1,3-benzodioxole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 myristicin InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BNWJOHGLIBDBOB-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 192.078644241 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H12O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 192.21 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC(=CC2=C1OCO2)CC=C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC(=CC2=C1OCO2)CC=C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 27.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 192.078644241 14 0 0 0 0 0 0 0 1 -1