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99433-68-8 | 2-Oxo-2-(4-propoxyphenyl)acetaldehyde hydrate
CAS No: 99433-68-8 Catalog No: AG006O5A MDL No:MFCD08705887
Product Description
Catalog Number:
AG006O5A
Chemical Name:
2-Oxo-2-(4-propoxyphenyl)acetaldehyde hydrate
CAS Number:
99433-68-8
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
MDL Number:
MFCD08705887
IUPAC Name:
2-oxo-2-(4-propoxyphenyl)acetaldehyde;hydrate
InChI:
InChI=1S/C11H12O3.H2O/c1-2-7-14-10-5-3-9(4-6-10)11(13)8-12;/h3-6,8H,2,7H2,1H3;1H2
InChI Key:
HVQDGXNDKPREAO-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)C(=O)C=O.O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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