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821787-31-9 | 2-Naphthalenecarboxylic acid, 1-(carboxymethoxy)-
CAS No: 821787-31-9 Catalog No: AG00515B MDL No:
Product Description
Catalog Number:
AG00515B
Chemical Name:
2-Naphthalenecarboxylic acid, 1-(carboxymethoxy)-
CAS Number:
821787-31-9
Molecular Formula:
C13H10O5
Molecular Weight:
246.2155
IUPAC Name:
1-(carboxymethoxy)naphthalene-2-carboxylic acid
InChI:
InChI=1S/C13H10O5/c14-11(15)7-18-12-9-4-2-1-3-8(9)5-6-10(12)13(16)17/h1-6H,7H2,(H,14,15)(H,16,17)
InChI Key:
IRYAPSGLFNPCKW-UHFFFAOYSA-N
SMILES:
OC(=O)COc1c(ccc2c1cccc2)C(=O)O
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.218g/mol
Monoisotopic Mass:
246.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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