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136520-10-0 | Butanoic acid, 3-methyl-, 2-hexen-1-yl ester
CAS No: 136520-10-0 Catalog No: AG0011YH MDL No:
Product Description
Catalog Number:
AG0011YH
Chemical Name:
Butanoic acid, 3-methyl-, 2-hexen-1-yl ester
CAS Number:
136520-10-0
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
IUPAC Name:
hex-2-enyl 3-methylbutanoate
InChI:
InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3
InChI Key:
SAVRWHQEMHIAEB-UHFFFAOYSA-N
SMILES:
CCCC=CCOC(=O)CC(C)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.146g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.279g/mol
Monoisotopic Mass:
184.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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