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25183-61-3 | 6-Heptenoic acid, 3-methoxy-, methyl ester
CAS No: 25183-61-3 Catalog No: AG002QSB MDL No:
Product Description
Catalog Number:
AG002QSB
Chemical Name:
6-Heptenoic acid, 3-methoxy-, methyl ester
CAS Number:
25183-61-3
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
methyl 3-methoxyhept-6-enoate
InChI:
InChI=1S/C9H16O3/c1-4-5-6-8(11-2)7-9(10)12-3/h4,8H,1,5-7H2,2-3H3
InChI Key:
MCAUBQIAYAPSTE-UHFFFAOYSA-N
SMILES:
C=CCCC(CC(=O)OC)OC
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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