
 23981-80-8

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.2086    0.0780    1.7727 C   0  0  0  0  0
    2.3023    0.4575    0.5997 C   0  0  0  0  0
    2.6457   -0.3177   -0.6595 C   0  0  0  0  0
    2.5257   -1.7163   -0.7147 C   0  0  0  0  0
    2.8457   -2.4334   -1.8805 C   0  0  0  0  0
    3.2960   -1.7368   -3.0227 C   0  0  0  0  0
    3.4112   -0.3396   -2.9661 C   0  0  0  0  0
    3.0898    0.3612   -1.8003 C   0  0  0  0  0
    3.6186   -2.4536   -4.1914 C   0  0  0  0  0
    3.4990   -3.8439   -4.2337 C   0  0  0  0  0
    3.0510   -4.5242   -3.1018 C   0  0  0  0  0
    2.7267   -3.8288   -1.9352 C   0  0  0  0  0
    3.7828   -4.6454   -5.3052 O   0  0  0  0  0
    4.2649   -4.0051   -6.4796 C   0  0  0  0  0
    0.8453    0.2869    0.9876 C   0  0  0  0  0
    0.3691   -0.5915    1.6895 O   0  0  0  0  0
    0.0465    1.2315    0.4475 O   0  0  0  0  0
    2.9614    0.6733    2.6590 H   0  0  0  0  0
    4.2614    0.2558    1.5272 H   0  0  0  0  0
    3.1038   -0.9764    2.0518 H   0  0  0  0  0
    2.4607    1.5304    0.4232 H   0  0  0  0  0
    2.1734   -2.2592    0.1621 H   0  0  0  0  0
    3.7534    0.2196   -3.8345 H   0  0  0  0  0
    3.1896    1.4449   -1.7953 H   0  0  0  0  0
    3.9622   -1.8992   -5.0587 H   0  0  0  0  0
    2.9536   -5.6069   -3.1270 H   0  0  0  0  0
    2.3804   -4.3883   -1.0692 H   0  0  0  0  0
    4.4526   -4.7796   -7.2295 H   0  0  0  0  0
    5.2124   -3.4906   -6.2885 H   0  0  0  0  0
    3.5169   -3.3188   -6.8900 H   0  0  0  0  0
   -0.8532    0.9758    0.7409 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2 15  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5 12  1  0  0  0
  5  6  2  0  0  0
  6  9  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 23  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 26  1  0  0  0
 12 27  1  0  0  0
 13 14  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 31  1  0  0  0
M  END

>  <Chemical Name>
23981-80-8

>  <PubChem CID>
1302

>  <Formula>
C14H14O3

>  <Molecular Weight>
230.263000

>  <IUPAC Name>
2-(6-methoxynaphthalen-2-yl)propanoic acid

>  <XlogP>
3.300

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O

>  <Isomeric SMILES>
CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O

>  <InChI Std. ID>
InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)

>  <InChI Key>
CMWTZPSULFXXJA-UHFFFAOYSA-N

