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288617-77-6 | 6-Heptenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (2R)-
CAS No: 288617-77-6 Catalog No: AG002WV8 MDL No:MFCD09879889
Product Description
Catalog Number:
AG002WV8
Chemical Name:
6-Heptenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (2R)-
CAS Number:
288617-77-6
Molecular Formula:
C23H25NO4
Molecular Weight:
379.4489
MDL Number:
MFCD09879889
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhept-6-enoic acid
InChI:
InChI=1S/C23H25NO4/c1-3-4-9-14-23(2,21(25)26)24-22(27)28-15-20-18-12-7-5-10-16(18)17-11-6-8-13-19(17)20/h3,5-8,10-13,20H,1,4,9,14-15H2,2H3,(H,24,27)(H,25,26)/t23-/m1/s1
InChI Key:
MRJFPZWLOJOINV-HSZRJFAPSA-N
SMILES:
C=CCCC[C@](C(=O)O)(NC(=O)OCC1c2ccccc2c2c1cccc2)C
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
9
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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