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Home > Aldehydes > 117661-40-2
117661-40-2 | 2-Naphthalenecarboxaldehyde, 1-hydroxy-5-methoxy-
CAS No: 117661-40-2 Catalog No: AG000HM2 MDL No:
Product Description
Catalog Number:
AG000HM2
Chemical Name:
2-Naphthalenecarboxaldehyde, 1-hydroxy-5-methoxy-
CAS Number:
117661-40-2
Molecular Formula:
C12H10O3
Molecular Weight:
202.2060
IUPAC Name:
1-hydroxy-5-methoxynaphthalene-2-carbaldehyde
InChI:
InChI=1S/C12H10O3/c1-15-11-4-2-3-10-9(11)6-5-8(7-13)12(10)14/h2-7,14H,1H3
InChI Key:
JHCBTEGFYKOJGR-UHFFFAOYSA-N
SMILES:
COc1cccc2c1ccc(c2O)C=O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.209g/mol
Monoisotopic Mass:
202.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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