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101650-09-3 | Heptanoic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, (2S)-
CAS No: 101650-09-3 Catalog No: AG00051G MDL No:
Product Description
Catalog Number:
AG00051G
Chemical Name:
Heptanoic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, (2S)-
CAS Number:
101650-09-3
Molecular Formula:
C16H23NO4
Molecular Weight:
293.3581
IUPAC Name:
methyl 2-(phenylmethoxycarbonylamino)heptanoate
InChI:
InChI=1S/C16H23NO4/c1-3-4-6-11-14(15(18)20-2)17-16(19)21-12-13-9-7-5-8-10-13/h5,7-10,14H,3-4,6,11-12H2,1-2H3,(H,17,19)
InChI Key:
VHPORVDBRXKDCI-UHFFFAOYSA-N
SMILES:
CCCCC[C@@H](C(=O)OC)NC(=O)OCc1ccccc1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.363g/mol
Monoisotopic Mass:
293.163g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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