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2445-78-5 | 2-Methylbutyl 2-methylbutyrate
CAS No: 2445-78-5 Catalog No: AG003HOW MDL No:MFCD00059395
Product Description
Catalog Number:
AG003HOW
Chemical Name:
2-Methylbutyl 2-methylbutyrate
CAS Number:
2445-78-5
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
MDL Number:
MFCD00059395
IUPAC Name:
2-methylbutyl 2-methylbutanoate
InChI:
InChI=1S/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3
InChI Key:
PVYFCGRBIREQLL-UHFFFAOYSA-N
SMILES:
CCC(COC(=O)C(CC)C)C
EC Number:
219-497-2
FEMA Number:
3359
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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