200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 6972-54-9
6972-54-9 | 3-isopropylheptan-2-one
CAS No: 6972-54-9 Catalog No: AG005IRS MDL No:
Product Description
Catalog Number:
AG005IRS
Chemical Name:
3-isopropylheptan-2-one
CAS Number:
6972-54-9
Molecular Formula:
C10H20O
Molecular Weight:
156.2652
IUPAC Name:
3-propan-2-ylheptan-2-one
InChI:
InChI=1S/C10H20O/c1-5-6-7-10(8(2)3)9(4)11/h8,10H,5-7H2,1-4H3
InChI Key:
LGWFXZVSAAZOQC-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)C)C(C)C
NSC Number:
62124
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.151g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.269g/mol
Monoisotopic Mass:
156.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.