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Chemical ID: 6048274
Chemical ID:
6048274
Name [?]:
methyl 3-(3-hydroxyphenyl)propanoate
SMILES [?]:
COC(=O)CCc1cccc(c1)O
InChi [?]:
InChI=1/C10H12O3/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-4,7,11H,5-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,6,5,12,7,11,3,13,4,2/rA:13nCOCOCCCCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12O3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.32014 |
Area: | 365.123 |
Solvation: | -2.80792 |
Coulombic: | -34.4571 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 180.2 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.53 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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