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126857-49-6 | 1-Naphthalenecarboxylic acid, 1,4-dihydro-7-methoxy-
CAS No: 126857-49-6 Catalog No: AG000TDE MDL No:
Product Description
Catalog Number:
AG000TDE
Chemical Name:
1-Naphthalenecarboxylic acid, 1,4-dihydro-7-methoxy-
CAS Number:
126857-49-6
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
7-methoxy-1,4-dihydronaphthalene-1-carboxylic acid
InChI:
InChI=1S/C12H12O3/c1-15-9-6-5-8-3-2-4-10(12(13)14)11(8)7-9/h2,4-7,10H,3H2,1H3,(H,13,14)
InChI Key:
BJEWIUCDNQQOES-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(C=CC2)C(=O)O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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