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2-[4-(morpholin-4-yl)phenyl]-2-oxoacetaldehyde hydrate

2-[4-(morpholin-4-yl)phenyl]-2-oxoacetaldehyde hydrate

CAS: 852633-82-0

Formula: C12H15NO4

SMILES: O.O=CC(=O)C1=CC=C(C=C1)N1CCOCC1

IUPAC: 2-[4-(morpholin-4-yl)phenyl]-2-oxoacetaldehyde hydrate

InChI: InChI=1S/C12H13NO3.H2O/c14-9-12(15)10-1-3-11(4-2-10)13-5-7-16-8-6-13;/h1-4,9H,5-8H2;1H2

Composition: C (60.75%), H (6.37%), N (5.90%), O (26.97%)

Molar Mass: 237.255

Atom Count: 32

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 237.100107967
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey ZMIBVEQMLLIBKQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.82
Topological Polar Surface Area 46.61
Polarizability 22.62
Ring Count 2
Rotatable Bond Count 3

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95% <2 Days 852633-82-0 $51.35-$539.70$51.35$63.37$86.31$113.62$180.26$539.70
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