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114343-31-6 | 4-Morpholinecarboxylic acid, (1S)-1-carboxy-2-phenylethyl ester
CAS No: 114343-31-6 Catalog No: AG000B3X MDL No:
Product Description
Catalog Number:
AG000B3X
Chemical Name:
4-Morpholinecarboxylic acid, (1S)-1-carboxy-2-phenylethyl ester
CAS Number:
114343-31-6
Molecular Formula:
C14H17NO5
Molecular Weight:
279.2885
IUPAC Name:
(2S)-2-(morpholine-4-carbonyloxy)-3-phenylpropanoic acid
InChI:
InChI=1S/C14H17NO5/c16-13(17)12(10-11-4-2-1-3-5-11)20-14(18)15-6-8-19-9-7-15/h1-5,12H,6-10H2,(H,16,17)/t12-/m0/s1
InChI Key:
RXSSENVGBNPHJJ-LBPRGKRZSA-N
SMILES:
O=C(N1CCOCC1)O[C@H](C(=O)O)Cc1ccccc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
279.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.292g/mol
Monoisotopic Mass:
279.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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