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Home Aldehydes Benzeneacetaldehyde, 3-methoxy-α-oxo-, hydrate (1:1)

Benzeneacetaldehyde, 3-methoxy-α-oxo-, hydrate (1:1)

CAS No.:
1172965-47-7
Catalog Number:
AG000E1W
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
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Product Description
Catalog Number:
AG000E1W
Chemical Name:
Benzeneacetaldehyde, 3-methoxy-α-oxo-, hydrate (1:1)
CAS Number:
1172965-47-7
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD06800953
IUPAC Name:
2-(3-methoxyphenyl)-2-oxoacetaldehyde;hydrate
InChI:
InChI=1S/C9H8O3.H2O/c1-12-8-4-2-3-7(5-8)9(11)6-10;/h2-6H,1H3;1H2
InChI Key:
LDMLATLMTDGBHP-UHFFFAOYSA-N
SMILES:
O=CC(=O)c1cccc(c1)OC.O
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties