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1189357-49-0 | 4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)but-2-enoic acid
CAS No: 1189357-49-0 Catalog No: AG01BK4V MDL No:
Product Description
Catalog Number:
AG01BK4V
Chemical Name:
4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)but-2-enoic acid
CAS Number:
1189357-49-0
Molecular Formula:
C19H17NO4
Molecular Weight:
323.3426
IUPAC Name:
4-(9H-fluoren-9-ylmethoxycarbonylamino)but-2-enoic acid
InChI:
InChI=1S/C19H17NO4/c21-18(22)10-5-11-20-19(23)24-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-10,17H,11-12H2,(H,20,23)(H,21,22)
InChI Key:
HYYMVIMUHHNZEV-UHFFFAOYSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NCC=CC(=O)O
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.348g/mol
Monoisotopic Mass:
323.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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