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188751-56-6 | Cycloheptanecarboxylic acid, 1-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-
CAS No: 188751-56-6 Catalog No: AG002H96 MDL No:MFCD03426229
Product Description
Catalog Number:
AG002H96
Chemical Name:
Cycloheptanecarboxylic acid, 1-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-
CAS Number:
188751-56-6
Molecular Formula:
C23H25NO4
Molecular Weight:
379.4489
MDL Number:
MFCD03426229
IUPAC Name:
1-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
InChI:
InChI=1S/C23H25NO4/c25-21(26)23(13-7-1-2-8-14-23)24-22(27)28-15-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,20H,1-2,7-8,13-15H2,(H,24,27)(H,25,26)
InChI Key:
KTXGWSABCZHTNH-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCCCCC1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.178g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
379.456g/mol
Monoisotopic Mass:
379.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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