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Chemical ID: 4950341
Chemical ID:
4950341
Name [?]:
4-(3-hydroxypropyl)-2-methoxy-phenol
SMILES [?]:
COc1cc(ccc1O)CCCO
InChi [?]:
InChI=1/C10H14O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h4-5,7,11-12H,2-3,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,6,7,12,4,5,8,3,13,9,2/rA:13nCOCCCCCCOCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;s10;s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14O3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.69007 |
Area: | 367.195 |
Solvation: | -4.48981 |
Coulombic: | -40.2692 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 182.216 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.24 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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