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197794-44-8 | Cycloheptanecarboxylic acid, 1-[[(phenylmethoxy)carbonyl]amino]-
CAS No: 197794-44-8 Catalog No: AG002B0Z MDL No:MFCD03426165
Product Description
Catalog Number:
AG002B0Z
Chemical Name:
Cycloheptanecarboxylic acid, 1-[[(phenylmethoxy)carbonyl]amino]-
CAS Number:
197794-44-8
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD03426165
IUPAC Name:
1-(phenylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
InChI:
InChI=1S/C16H21NO4/c18-14(19)16(10-6-1-2-7-11-16)17-15(20)21-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,17,20)(H,18,19)
InChI Key:
KNPNGYZWIAJSIO-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCCCCC1)C(=O)O)OCc1ccccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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