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272459-61-7 | Benzoic acid, 2-[[(4S)-4-hydroxy-2-isoxazolidinyl]carbonyl]-, methylester
CAS No: 272459-61-7 Catalog No: AG00I55V MDL No:MFCD26523288
Product Description
Catalog Number:
AG00I55V
Chemical Name:
Benzoic acid, 2-[[(4S)-4-hydroxy-2-isoxazolidinyl]carbonyl]-, methylester
CAS Number:
272459-61-7
MDL Number:
MFCD26523288
IUPAC Name:
methyl 2-[(4S)-4-hydroxy-1,2-oxazolidine-2-carbonyl]benzoate
InChI:
InChI=1S/C12H13NO5/c1-17-12(16)10-5-3-2-4-9(10)11(15)13-6-8(14)7-18-13/h2-5,8,14H,6-7H2,1H3/t8-/m0/s1
InChI Key:
RWKNVCIZFHCRKR-QMMMGPOBSA-N
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
251.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.238g/mol
Monoisotopic Mass:
251.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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