Home Other Building Blocks 2-Pentenoic acid, 2-cyano-4,4-dimethyl-

2-Pentenoic acid, 2-cyano-4,4-dimethyl-

CAS No.:
88319-37-3
Catalog Number:
AG0048GQ
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
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Product Description
Catalog Number:
AG0048GQ
Chemical Name:
2-Pentenoic acid, 2-cyano-4,4-dimethyl-
CAS Number:
88319-37-3
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD30475394
IUPAC Name:
2-cyano-4,4-dimethylpent-2-enoic acid
InChI:
InChI=1S/C8H11NO2/c1-8(2,3)4-6(5-9)7(10)11/h4H,1-3H3,(H,10,11)
InChI Key:
NJCRQFJRXAZYEJ-UHFFFAOYSA-N
SMILES:
N#CC(=CC(C)(C)C)C(=O)O
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.8  
Properties