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64819-89-2 | 3-Butenoic acid, 3-cyano-4-(2,3-dihydro-2-methyl-1H-indol-1-yl)-
CAS No: 64819-89-2 Catalog No: AG00H5YY MDL No:
Product Description
Catalog Number:
AG00H5YY
Chemical Name:
3-Butenoic acid, 3-cyano-4-(2,3-dihydro-2-methyl-1H-indol-1-yl)-
CAS Number:
64819-89-2
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
IUPAC Name:
3-cyano-4-(2-methyl-2,3-dihydroindol-1-yl)but-3-enoic acid
InChI:
InChI=1S/C14H14N2O2/c1-10-6-12-4-2-3-5-13(12)16(10)9-11(8-15)7-14(17)18/h2-5,9-10H,6-7H2,1H3,(H,17,18)
InChI Key:
HFUGQAARSFJWST-UHFFFAOYSA-N
SMILES:
N#CC(=CN1C(C)Cc2c1cccc2)CC(=O)O
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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