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1260758-59-5 | Cyclopentanecarboxylic acid, 4-methylene-2-[[(phenylmethoxy)carbonyl]amino]-
CAS No: 1260758-59-5 Catalog No: AG000R4S MDL No:
Product Description
Catalog Number:
AG000R4S
Chemical Name:
Cyclopentanecarboxylic acid, 4-methylene-2-[[(phenylmethoxy)carbonyl]amino]-
CAS Number:
1260758-59-5
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
IUPAC Name:
4-methylidene-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C15H17NO4/c1-10-7-12(14(17)18)13(8-10)16-15(19)20-9-11-5-3-2-4-6-11/h2-6,12-13H,1,7-9H2,(H,16,19)(H,17,18)
InChI Key:
TYHLUCBZLJPFFD-UHFFFAOYSA-N
SMILES:
O=C(NC1CC(=C)CC1C(=O)O)OCc1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.304g/mol
Monoisotopic Mass:
275.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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