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30982-03-7

30982-03-7 | Nonanoic acid, 2-methylpropyl ester

CAS No: 30982-03-7 Catalog No: AG0031U9 MDL No:

Product Description

Catalog Number:
AG0031U9
Chemical Name:
Nonanoic acid, 2-methylpropyl ester
CAS Number:
30982-03-7
Molecular Formula:
C13H26O2
Molecular Weight:
214.3443
IUPAC Name:
2-methylpropyl nonanoate
InChI:
InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-13(14)15-11-12(2)3/h12H,4-11H2,1-3H3
InChI Key:
NVVLMTNIHQHZPR-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)OCC(C)C
EC Number:
250-411-6
UNII:
8J1S30GF9R

Properties

Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.193g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.349g/mol
Monoisotopic Mass:
214.193g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  

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