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Home > Other Building Blocks > 87668-09-5
87668-09-5 | (3E)-4-methylhexa-3,5-dienoic acid
CAS No: 87668-09-5 Catalog No: AG004KVD MDL No:
Product Description
Catalog Number:
AG004KVD
Chemical Name:
(3E)-4-methylhexa-3,5-dienoic acid
CAS Number:
87668-09-5
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
(3E)-4-methylhexa-3,5-dienoic acid
InChI:
InChI=1S/C7H10O2/c1-3-6(2)4-5-7(8)9/h3-4H,1,5H2,2H3,(H,8,9)/b6-4+
InChI Key:
BFUYPWNVMSXEQU-GQCTYLIASA-N
SMILES:
C/C(=C\CC(=O)O)/C=C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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