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119136-07-1 | 7-Dodecenoic acid, methyl ester, (E)- (9CI)
CAS No: 119136-07-1 Catalog No: AG000I8N MDL No:
Product Description
Catalog Number:
AG000I8N
Chemical Name:
7-Dodecenoic acid, methyl ester, (E)- (9CI)
CAS Number:
119136-07-1
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
methyl dodec-7-enoate
InChI:
InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h6-7H,3-5,8-12H2,1-2H3
InChI Key:
CZRIJXCKXFZRKN-UHFFFAOYSA-N
SMILES:
CCCC/C=C/CCCCCC(=O)OC
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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