200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1671-77-8
1671-77-8 | 1-Pentanone, 1-(4-methylphenyl)-
CAS No: 1671-77-8 Catalog No: AG001X4O MDL No:MFCD00027237
Product Description
Catalog Number:
AG001X4O
Chemical Name:
1-Pentanone, 1-(4-methylphenyl)-
CAS Number:
1671-77-8
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD00027237
IUPAC Name:
1-(4-methylphenyl)pentan-1-one
InChI:
InChI=1S/C12H16O/c1-3-4-5-12(13)11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3
InChI Key:
BCVCZJADTSTKNH-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1ccc(cc1)C
EC Number:
216-804-1
NSC Number:
115636
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.