Chemical ID: 4677772

CC(c1ccc(cc1)OC)C(=O)O
Chemical ID:
4677772
Name [?]:
2-(4-methoxyphenyl)propanoic acid
SMILES [?]:
CC(c1ccc(cc1)OC)C(=O)O
InChi [?]:
InChI=1/C10H12O3/c1-7(10(11)12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,10,4,8,5,7,2,3,6,11,12,13,9/E:(3,4)(5,6)(11,12)/rA:13cCCCCCCCCOCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s2;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:5.49938
Area:348.128
Solvation:-3.2038
Coulombic:-34.1094
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:180.2
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.58
LogP (Chemaxon):1.99

Name Annotations

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Descriptor Annotations

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