Home Other Building Blocks 2-(propan-2-yl)hexanoic acid

2-(propan-2-yl)hexanoic acid

CAS No.:
27610-89-5
Catalog Number:
AG01BUP0
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
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Product Description
Catalog Number:
AG01BUP0
Chemical Name:
2-(propan-2-yl)hexanoic acid
CAS Number:
27610-89-5
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD12794594
IUPAC Name:
2-propan-2-ylhexanoic acid
InChI:
InChI=1S/C9H18O2/c1-4-5-6-8(7(2)3)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)
InChI Key:
GNAKABFIXDKLCV-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)O)C(C)C
Properties
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties