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29518-11-4 | 4-Phenylmorpholin-3-one
CAS No: 29518-11-4 Catalog No: AG002YME MDL No:MFCD00624822
Product Description
Catalog Number:
AG002YME
Chemical Name:
4-Phenylmorpholin-3-one
CAS Number:
29518-11-4
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD00624822
IUPAC Name:
4-phenylmorpholin-3-one
InChI:
InChI=1S/C10H11NO2/c12-10-8-13-7-6-11(10)9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key:
SIWXCJHUZAEIAE-UHFFFAOYSA-N
SMILES:
O=C1COCCN1c1ccccc1
EC Number:
608-371-6
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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