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84604-59-1 | Propanoic acid,2,2-dimethyl-, 3-hexenyl ester, (Z)- (9CI)
CAS No: 84604-59-1 Catalog No: AG004TS3 MDL No:
Product Description
Catalog Number:
AG004TS3
Chemical Name:
Propanoic acid,2,2-dimethyl-, 3-hexenyl ester, (Z)- (9CI)
CAS Number:
84604-59-1
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
IUPAC Name:
[(Z)-hex-3-enyl] 2,2-dimethylpropanoate
InChI:
InChI=1S/C11H20O2/c1-5-6-7-8-9-13-10(12)11(2,3)4/h6-7H,5,8-9H2,1-4H3/b7-6-
InChI Key:
JGXBXELJDMGEAB-SREVYHEPSA-N
SMILES:
CC/C=C\CCOC(=O)C(C)(C)C
EC Number:
283-340-4
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
184.146g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.279g/mol
Monoisotopic Mass:
184.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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