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138812-70-1 | Benzenebutanoic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (αR)-
CAS No: 138812-70-1 Catalog No: AG0019NC MDL No:MFCD00066107
Product Description
Catalog Number:
AG0019NC
Chemical Name:
Benzenebutanoic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (αR)-
CAS Number:
138812-70-1
Molecular Formula:
C18H19NO4
Molecular Weight:
313.3478
MDL Number:
MFCD00066107
IUPAC Name:
(2R)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C18H19NO4/c20-17(21)16(12-11-14-7-3-1-4-8-14)19-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,22)(H,20,21)/t16-/m1/s1
InChI Key:
GUWSQYJXSRIJCI-MRXNPFEDSA-N
SMILES:
O=C(N[C@@H](C(=O)O)CCc1ccccc1)OCc1ccccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
313.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.353g/mol
Monoisotopic Mass:
313.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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