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1238-05-7 | Benzenepropanoic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS No: 1238-05-7 Catalog No: AG000L45 MDL No:
Product Description
Catalog Number:
AG000L45
Chemical Name:
Benzenepropanoic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS Number:
1238-05-7
Molecular Formula:
C18H19NO4
Molecular Weight:
313.3478
IUPAC Name:
methyl 3-[3-(phenylmethoxycarbonylamino)phenyl]propanoate
InChI:
InChI=1S/C18H19NO4/c1-22-17(20)11-10-14-8-5-9-16(12-14)19-18(21)23-13-15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3,(H,19,21)
InChI Key:
NAAPCXFWIBCPED-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1cccc(c1)NC(=O)OCc1ccccc1
NSC Number:
79246
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Isotope Atom Count:
0
Molecular Weight:
313.353g/mol
Monoisotopic Mass:
313.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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