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10032-13-0 | Butanoic acid, 3-methyl-, hexyl ester
CAS No: 10032-13-0 Catalog No: AG0001MP MDL No:MFCD00048883
Product Description
Catalog Number:
AG0001MP
Chemical Name:
Butanoic acid, 3-methyl-, hexyl ester
CAS Number:
10032-13-0
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
MDL Number:
MFCD00048883
IUPAC Name:
hexyl 3-methylbutanoate
InChI:
InChI=1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3
InChI Key:
RSDDTPVXLMVLQE-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)CC(C)C
EC Number:
233-105-7
UNII:
5FJ2M7YCY6
FEMA Number:
3500
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.162g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.295g/mol
Monoisotopic Mass:
186.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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