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1381947-21-2 | Butanoic acid, 3-methyl-3-[[(phenylmethoxy)carbonyl]amino]-, ethyl ester
CAS No: 1381947-21-2 Catalog No: AG00188F MDL No:
Product Description
Catalog Number:
AG00188F
Chemical Name:
Butanoic acid, 3-methyl-3-[[(phenylmethoxy)carbonyl]amino]-, ethyl ester
CAS Number:
1381947-21-2
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
IUPAC Name:
ethyl 3-methyl-3-(phenylmethoxycarbonylamino)butanoate
InChI:
InChI=1S/C15H21NO4/c1-4-19-13(17)10-15(2,3)16-14(18)20-11-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,16,18)
InChI Key:
JISHVTRVJMIBCZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(NC(=O)OCc1ccccc1)(C)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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