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106973-36-8 | (R);-4-Benzyl-5-oxomorpholine-3-carboxylic acid
CAS No: 106973-36-8 Catalog No: AG003CA3 MDL No:MFCD12031258
Product Description
Catalog Number:
AG003CA3
Chemical Name:
(R);-4-Benzyl-5-oxomorpholine-3-carboxylic acid
CAS Number:
106973-36-8
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD12031258
IUPAC Name:
(3R)-4-benzyl-5-oxomorpholine-3-carboxylic acid
InChI:
InChI=1S/C12H13NO4/c14-11-8-17-7-10(12(15)16)13(11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)/t10-/m1/s1
InChI Key:
LAHROJZLGLNLBT-SNVBAGLBSA-N
SMILES:
OC(=O)[C@H]1COCC(=O)N1Cc1ccccc1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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