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89709-85-3 | 4-Pentenoic acid, 2,5-dimethoxy-, (E)-
CAS No: 89709-85-3 Catalog No: AG0043W8 MDL No:
Product Description
Catalog Number:
AG0043W8
Chemical Name:
4-Pentenoic acid, 2,5-dimethoxy-, (E)-
CAS Number:
89709-85-3
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
IUPAC Name:
2,5-dimethoxypent-4-enoic acid
InChI:
InChI=1S/C7H12O4/c1-10-5-3-4-6(11-2)7(8)9/h3,5-6H,4H2,1-2H3,(H,8,9)
InChI Key:
LWAJESFTAZOILZ-UHFFFAOYSA-N
SMILES:
CO/C=C/CC(C(=O)O)OC
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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