Chemical ID: 6048274

COC(=O)CCc1cccc(c1)O
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

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Experimental Annotations

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Descriptor Annotations

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