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32025-65-3 | 3-METHOXYPHENYLGLYOXAL HYDRATE
CAS No: 32025-65-3 Catalog No: AG003JNX MDL No:MFCD08533286
Product Description
Catalog Number:
AG003JNX
Chemical Name:
3-METHOXYPHENYLGLYOXAL HYDRATE
CAS Number:
32025-65-3
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD08533286
IUPAC Name:
2-(3-methoxyphenyl)-2-oxoacetaldehyde
InChI:
InChI=1S/C9H8O3/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-6H,1H3
InChI Key:
SIHYQEYAJMDKQH-UHFFFAOYSA-N
SMILES:
O=CC(=O)c1cccc(c1)OC
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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