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10214-27-4 | 10-Undecenoic acid, 3-methylbutyl ester
CAS No: 10214-27-4 Catalog No: AG0006PW MDL No:
Product Description
Catalog Number:
AG0006PW
Chemical Name:
10-Undecenoic acid, 3-methylbutyl ester
CAS Number:
10214-27-4
Molecular Formula:
C16H30O2
Molecular Weight:
254.4082
IUPAC Name:
3-methylbutyl undec-10-enoate
InChI:
InChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-16(17)18-14-13-15(2)3/h4,15H,1,5-14H2,2-3H3
InChI Key:
DMSGZRWAESVGIP-UHFFFAOYSA-N
SMILES:
C=CCCCCCCCCC(=O)OCCC(C)C
EC Number:
233-525-0
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.225g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.414g/mol
Monoisotopic Mass:
254.225g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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