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79695-53-7 | 2,4-Hexadienoic acid, 5-methyl-, (2E)-
CAS No: 79695-53-7 Catalog No: AG005IMK MDL No:
Product Description
Catalog Number:
AG005IMK
Chemical Name:
2,4-Hexadienoic acid, 5-methyl-, (2E)-
CAS Number:
79695-53-7
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
5-methylhexa-2,4-dienoic acid
InChI:
InChI=1S/C7H10O2/c1-6(2)4-3-5-7(8)9/h3-5H,1-2H3,(H,8,9)
InChI Key:
USVPNLRUHJWRFA-UHFFFAOYSA-N
SMILES:
CC(=C/C=C/C(=O)O)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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