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83803-42-3 | 2-Butenoic acid,2-methyl-, octyl ester, (2Z)- (9CI)
CAS No: 83803-42-3 Catalog No: AG004WKR MDL No:
Product Description
Catalog Number:
AG004WKR
Chemical Name:
2-Butenoic acid,2-methyl-, octyl ester, (2Z)- (9CI)
CAS Number:
83803-42-3
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
octyl (Z)-2-methylbut-2-enoate
InChI:
InChI=1S/C13H24O2/c1-4-6-7-8-9-10-11-15-13(14)12(3)5-2/h5H,4,6-11H2,1-3H3/b12-5-
InChI Key:
JNHPLASQNDHBJH-XGICHPGQSA-N
SMILES:
CCCCCCCCOC(=O)/C(=C\C)/C
EC Number:
280-859-8
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
212.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.333g/mol
Monoisotopic Mass:
212.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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