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88307-32-8 | 1,3-Heptadiene, 7-chloro-3-methoxy-, (E)-
CAS No: 88307-32-8 Catalog No: AG004940 MDL No:
Product Description
Catalog Number:
AG004940
Chemical Name:
1,3-Heptadiene, 7-chloro-3-methoxy-, (E)-
CAS Number:
88307-32-8
Molecular Formula:
C8H13ClO
Molecular Weight:
160.6412
IUPAC Name:
7-chloro-3-methoxyhepta-1,3-diene
InChI:
InChI=1S/C8H13ClO/c1-3-8(10-2)6-4-5-7-9/h3,6H,1,4-5,7H2,2H3
InChI Key:
PRSQRCLOFGGCNI-UHFFFAOYSA-N
SMILES:
CO/C(=C/CCCCl)/C=C
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.065g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.641g/mol
Monoisotopic Mass:
160.065g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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