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101976-96-9 | 2-Pentenoic acid, 5-[2-[(4-bromophenyl)methoxy]cyclohexyl]-, methyl ester, [1α(E),2β]- (9CI)
CAS No: 101976-96-9 Catalog No: AG000656 MDL No:
Product Description
Catalog Number:
AG000656
Chemical Name:
2-Pentenoic acid, 5-[2-[(4-bromophenyl)methoxy]cyclohexyl]-, methyl ester, [1α(E),2β]- (9CI)
CAS Number:
101976-96-9
IUPAC Name:
methyl 5-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]pent-2-enoate
InChI:
InChI=1S/C19H25BrO3/c1-22-19(21)9-5-3-7-16-6-2-4-8-18(16)23-14-15-10-12-17(20)13-11-15/h5,9-13,16,18H,2-4,6-8,14H2,1H3/t16-,18+/m1/s1
InChI Key:
AVIQLVPJIUFUTF-AEFFLSMTSA-N
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
380.099g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.31g/mol
Monoisotopic Mass:
380.099g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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