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1172293-10-5 | 1-Naphthaleneacetaldehyde, 6-methoxy-α-oxo-, hydrate (1:1)
CAS No: 1172293-10-5 Catalog No: AG000DXR MDL No:MFCD06800934
Product Description
Catalog Number:
AG000DXR
Chemical Name:
1-Naphthaleneacetaldehyde, 6-methoxy-α-oxo-, hydrate (1:1)
CAS Number:
1172293-10-5
Molecular Formula:
C13H12O4
Molecular Weight:
232.2320
MDL Number:
MFCD06800934
IUPAC Name:
2-(6-methoxynaphthalen-1-yl)-2-oxoacetaldehyde;hydrate
InChI:
InChI=1S/C13H10O3.H2O/c1-16-10-5-6-11-9(7-10)3-2-4-12(11)13(15)8-14;/h2-8H,1H3;1H2
InChI Key:
CBFAHRRUWMTAQH-UHFFFAOYSA-N
SMILES:
O=CC(=O)c1cccc2c1ccc(c2)OC.O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.235g/mol
Monoisotopic Mass:
232.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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