Chemical ID: 6633517

CC(c1ccccc1OC)C(=O)O
Chemical ID:
6633517
Name [?]:
2-(2-methoxyphenyl)propanoic acid
SMILES [?]:
CC(c1ccccc1OC)C(=O)O
InChi [?]:
InChI=1/C10H12O3/c1-7(10(11)12)8-5-3-4-6-9(8)13-2/h3-7H,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,10,5,6,4,7,2,3,8,11,12,13,9/E:(11,12)/rA:13cCCCCCCCCOCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:5.92478
Area:344.776
Solvation:-2.69463
Coulombic:-34.8074
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

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Descriptor Annotations

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