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2137583-07-2 | 2-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}azetidin-3-ylidene)acetic acid
CAS No: 2137583-07-2 Catalog No: AG01EM2Y MDL No:MFCD31558817
Product Description
Catalog Number:
AG01EM2Y
Chemical Name:
2-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}azetidin-3-ylidene)acetic acid
CAS Number:
2137583-07-2
Molecular Formula:
C20H17NO4
Molecular Weight:
335.3533
MDL Number:
MFCD31558817
IUPAC Name:
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-ylidene]acetic acid
InChI:
InChI=1S/C20H17NO4/c22-19(23)9-13-10-21(11-13)20(24)25-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-9,18H,10-12H2,(H,22,23)
InChI Key:
RSZYIFTUUZMIDT-UHFFFAOYSA-N
SMILES:
OC(=O)C=C1CN(C1)C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.116g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.359g/mol
Monoisotopic Mass:
335.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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