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Home > Aldehydes > 745783-88-4
745783-88-4 | 2-(6-Methoxynaphthalen-2-yl);-2-oxoacetaldehyde hydrate
CAS No: 745783-88-4 Catalog No: AG005W4S MDL No:MFCD08533285
Product Description
Catalog Number:
AG005W4S
Chemical Name:
2-(6-Methoxynaphthalen-2-yl);-2-oxoacetaldehyde hydrate
CAS Number:
745783-88-4
Molecular Formula:
C13H12O4
Molecular Weight:
232.2320
MDL Number:
MFCD08533285
IUPAC Name:
2-(6-methoxynaphthalen-2-yl)-2-oxoacetaldehyde;hydrate
InChI:
InChI=1S/C13H10O3.H2O/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12;/h2-8H,1H3;1H2
InChI Key:
YNILJUBMHVAHAW-UHFFFAOYSA-N
SMILES:
O=CC(=O)c1ccc2c(c1)ccc(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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