Home Carboxys 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-6-methoxy-

1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-6-methoxy-

CAS No.:
80858-95-3
Catalog Number:
AG00ID4W
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
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Product Description
Catalog Number:
AG00ID4W
Chemical Name:
1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-6-methoxy-
CAS Number:
80858-95-3
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD14602276
IUPAC Name:
6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
InChI:
InChI=1S/C12H14O3/c1-15-9-5-6-10-8(7-9)3-2-4-11(10)12(13)14/h5-7,11H,2-4H2,1H3,(H,13,14)
InChI Key:
WDLWRQYLECGUNU-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCCC2C(=O)O
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties