Home Other Building Blocks 3-(1,3-dioxaindan-5-yl)-2-cyanoprop-2-enoic acid

3-(1,3-dioxaindan-5-yl)-2-cyanoprop-2-enoic acid

CAS No.:
51066-70-7
Catalog Number:
AG01ELXS
Molecular Formula:
C11H7NO4
Molecular Weight:
217.1776
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Product Description
Catalog Number:
AG01ELXS
Chemical Name:
3-(1,3-dioxaindan-5-yl)-2-cyanoprop-2-enoic acid
CAS Number:
51066-70-7
Molecular Formula:
C11H7NO4
Molecular Weight:
217.1776
MDL Number:
MFCD00599207
IUPAC Name:
(Z)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoic acid
InChI:
InChI=1S/C11H7NO4/c12-5-8(11(13)14)3-7-1-2-9-10(4-7)16-6-15-9/h1-4H,6H2,(H,13,14)/b8-3-
InChI Key:
LJKHUTHWDPAAIA-BAQGIRSFSA-N
SMILES:
N#CC(=Cc1ccc2c(c1)OCO2)C(=O)O
Properties
Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
217.038g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.18g/mol
Monoisotopic Mass:
217.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties