200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 173592-71-7
173592-71-7 | Benzaldehyde, 4-(3,3-dimethyl-1-butyn-1-yl)-
CAS No: 173592-71-7 Catalog No: AG001Z1A MDL No:MFCD03840838
Product Description
Catalog Number:
AG001Z1A
Chemical Name:
Benzaldehyde, 4-(3,3-dimethyl-1-butyn-1-yl)-
CAS Number:
173592-71-7
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
MDL Number:
MFCD03840838
IUPAC Name:
4-(3,3-dimethylbut-1-ynyl)benzaldehyde
InChI:
InChI=1S/C13H14O/c1-13(2,3)9-8-11-4-6-12(10-14)7-5-11/h4-7,10H,1-3H3
InChI Key:
CXWJEINBKJSZPU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C#CC(C)(C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.104g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.254g/mol
Monoisotopic Mass:
186.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.