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919-93-7

919-93-7 | 4-Pentenal, 3,3-dimethyl-

CAS No: 919-93-7 Catalog No: AG006GCD MDL No:

Product Description

Catalog Number:
AG006GCD
Chemical Name:
4-Pentenal, 3,3-dimethyl-
CAS Number:
919-93-7
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
3,3-dimethylpent-4-enal
InChI:
InChI=1S/C7H12O/c1-4-7(2,3)5-6-8/h4,6H,1,5H2,2-3H3
InChI Key:
WLXREHIPDUEVON-UHFFFAOYSA-N
SMILES:
O=CCC(C=C)(C)C

Properties

Complexity:
92.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Literature

Title Journal
Marianins A and B, prenylated phenylpropanoids from Mariannaea camptospora. Journal of natural products 20110527

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