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23135-50-4 | Pentanoic acid, 5-[[(phenylmethoxy)carbonyl]amino]-
CAS No: 23135-50-4 Catalog No: AG002MBG MDL No:MFCD00188458
Product Description
Catalog Number:
AG002MBG
Chemical Name:
Pentanoic acid, 5-[[(phenylmethoxy)carbonyl]amino]-
CAS Number:
23135-50-4
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD00188458
IUPAC Name:
5-(phenylmethoxycarbonylamino)pentanoic acid
InChI:
InChI=1S/C13H17NO4/c15-12(16)8-4-5-9-14-13(17)18-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,14,17)(H,15,16)
InChI Key:
QYYPKLYDFCYGPG-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCNC(=O)OCc1ccccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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