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91948-69-5 | 1,4-Methanonaphthalene-1(4H)-carboxaldehyde, 4-methoxy-
CAS No: 91948-69-5 Catalog No: AG00663W MDL No:
Product Description
Catalog Number:
AG00663W
Chemical Name:
1,4-Methanonaphthalene-1(4H)-carboxaldehyde, 4-methoxy-
CAS Number:
91948-69-5
Molecular Formula:
C13H12O2
Molecular Weight:
200.2332
IUPAC Name:
8-methoxytricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-1-carbaldehyde
InChI:
InChI=1S/C13H12O2/c1-15-13-7-6-12(8-13,9-14)10-4-2-3-5-11(10)13/h2-7,9H,8H2,1H3
InChI Key:
ZTFDEVBQBMTOHI-UHFFFAOYSA-N
SMILES:
COC12C=CC(C1)(c1c2cccc1)C=O
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.237g/mol
Monoisotopic Mass:
200.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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