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175407-63-3 | Cyclooctanecarboxylic acid, 1-[[(phenylmethoxy)carbonyl]amino]-
CAS No: 175407-63-3 Catalog No: AG0020ZA MDL No:MFCD03426166
Product Description
Catalog Number:
AG0020ZA
Chemical Name:
Cyclooctanecarboxylic acid, 1-[[(phenylmethoxy)carbonyl]amino]-
CAS Number:
175407-63-3
Molecular Formula:
C17H23NO4
Molecular Weight:
305.3688
MDL Number:
MFCD03426166
IUPAC Name:
1-(phenylmethoxycarbonylamino)cyclooctane-1-carboxylic acid
InChI:
InChI=1S/C17H23NO4/c19-15(20)17(11-7-2-1-3-8-12-17)18-16(21)22-13-14-9-5-4-6-10-14/h4-6,9-10H,1-3,7-8,11-13H2,(H,18,21)(H,19,20)
InChI Key:
MYSMBJYGVCNQQO-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCCCCCC1)C(=O)O)OCc1ccccc1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.374g/mol
Monoisotopic Mass:
305.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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