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174706-98-0 | Carbonic acid, (2E)-1-ethyl-2-penten-1-yl methyl ester
CAS No: 174706-98-0 Catalog No: AG001ZVY MDL No:
Product Description
Catalog Number:
AG001ZVY
Chemical Name:
Carbonic acid, (2E)-1-ethyl-2-penten-1-yl methyl ester
CAS Number:
174706-98-0
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
hept-4-en-3-yl methyl carbonate
InChI:
InChI=1S/C9H16O3/c1-4-6-7-8(5-2)12-9(10)11-3/h6-8H,4-5H2,1-3H3
InChI Key:
AUZDLHOKAMZBFX-UHFFFAOYSA-N
SMILES:
CC/C=C/C(OC(=O)OC)CC
Properties
Complexity:
152
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:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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