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810670-02-1 | Benzenepropanoic acid, b-(acetylamino)-4-methoxy-, methylester, (bR)-
CAS No: 810670-02-1 Catalog No: AG00562A MDL No:
Product Description
Catalog Number:
AG00562A
Chemical Name:
Benzenepropanoic acid, b-(acetylamino)-4-methoxy-, methylester, (bR)-
CAS Number:
810670-02-1
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
IUPAC Name:
methyl (3R)-3-acetamido-3-(4-methoxyphenyl)propanoate
InChI:
InChI=1S/C13H17NO4/c1-9(15)14-12(8-13(16)18-3)10-4-6-11(17-2)7-5-10/h4-7,12H,8H2,1-3H3,(H,14,15)/t12-/m1/s1
InChI Key:
HPOHGSFWIOTIFP-GFCCVEGCSA-N
SMILES:
COC(=O)C[C@H](c1ccc(cc1)OC)NC(=O)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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