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14333-92-7 | 2-(4-ethylphenyl)-2-oxoacetaldehyde hydrate
CAS No: 14333-92-7 Catalog No: AG009HS0 MDL No:MFCD08705868
Product Description
Catalog Number:
AG009HS0
Chemical Name:
2-(4-ethylphenyl)-2-oxoacetaldehyde hydrate
CAS Number:
14333-92-7
MDL Number:
MFCD08705868
IUPAC Name:
2-(4-ethylphenyl)-2-oxoacetaldehyde;hydrate
InChI:
InChI=1S/C10H10O2.H2O/c1-2-8-3-5-9(6-4-8)10(12)7-11;/h3-7H,2H2,1H3;1H2
InChI Key:
QFDCQUPYEYQFJM-UHFFFAOYSA-N
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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