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191110-68-6 | Cyclopentanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(phenylmethoxy)-
CAS No: 191110-68-6 Catalog No: AG002F1W MDL No:
Product Description
Catalog Number:
AG002F1W
Chemical Name:
Cyclopentanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(phenylmethoxy)-
CAS Number:
191110-68-6
Molecular Formula:
C18H25NO5
Molecular Weight:
335.3948
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxycyclopentane-1-carboxylic acid
InChI:
InChI=1S/C18H25NO5/c1-17(2,3)24-16(22)19-18(15(20)21)10-9-14(11-18)23-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,22)(H,20,21)
InChI Key:
YPFOFJJESUHXBY-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCC(C1)OCc1ccccc1)C(=O)O)OC(C)(C)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.173g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.4g/mol
Monoisotopic Mass:
335.173g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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