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88974-45-2 | 2-Propenoic acid, 1-ethenyl-1-(2-propenyl)-3-butenyl ester
CAS No: 88974-45-2 Catalog No: AG0045RB MDL No:
Product Description
Catalog Number:
AG0045RB
Chemical Name:
2-Propenoic acid, 1-ethenyl-1-(2-propenyl)-3-butenyl ester
CAS Number:
88974-45-2
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
4-ethenylhepta-1,6-dien-4-yl prop-2-enoate
InChI:
InChI=1S/C12H16O2/c1-5-9-12(8-4,10-6-2)14-11(13)7-3/h5-8H,1-4,9-10H2
InChI Key:
USPBSZBWBGKEAT-UHFFFAOYSA-N
SMILES:
C=CCC(OC(=O)C=C)(CC=C)C=C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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