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89215-27-0 | 2,5-Cyclohexadiene-1-carboxylic acid, 1-(3-bromopropyl)-, methyl ester
CAS No: 89215-27-0 Catalog No: AG00463M MDL No:
Product Description
Catalog Number:
AG00463M
Chemical Name:
2,5-Cyclohexadiene-1-carboxylic acid, 1-(3-bromopropyl)-, methyl ester
CAS Number:
89215-27-0
Molecular Formula:
C11H15BrO2
Molecular Weight:
259.1396
IUPAC Name:
methyl 1-(3-bromopropyl)cyclohexa-2,5-diene-1-carboxylate
InChI:
InChI=1S/C11H15BrO2/c1-14-10(13)11(8-5-9-12)6-3-2-4-7-11/h3-4,6-7H,2,5,8-9H2,1H3
InChI Key:
OFBMELZVRJHMKV-UHFFFAOYSA-N
SMILES:
BrCCCC1(C=CCC=C1)C(=O)OC
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.143g/mol
Monoisotopic Mass:
258.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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