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190004-53-6 | Cyclobutanecarboxylic acid, 1-[[(phenylmethoxy)carbonyl]amino]-
CAS No: 190004-53-6 Catalog No: AG002E8H MDL No:MFCD03426163
Product Description
Catalog Number:
AG002E8H
Chemical Name:
Cyclobutanecarboxylic acid, 1-[[(phenylmethoxy)carbonyl]amino]-
CAS Number:
190004-53-6
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
MDL Number:
MFCD03426163
IUPAC Name:
1-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
InChI:
InChI=1S/C13H15NO4/c15-11(16)13(7-4-8-13)14-12(17)18-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,14,17)(H,15,16)
InChI Key:
GDJSFBNRXFOUEQ-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCC1)C(=O)O)OCc1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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