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102104-08-5 | 2,3-Pentadienoic acid, 2,4-dimethyl-
CAS No: 102104-08-5 Catalog No: AG0006N8 MDL No:
Product Description
Catalog Number:
AG0006N8
Chemical Name:
2,3-Pentadienoic acid, 2,4-dimethyl-
CAS Number:
102104-08-5
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
2,4-dimethylpent-3-enoate
InChI:
InChI=1S/C7H10O2/c1-5(2)4-6(3)7(8)9/h4H,1-3H3
InChI Key:
MHXSNXXRQMHSNX-UHFFFAOYSA-N
SMILES:
CC(=C=C(C(=O)O)C)C
Properties
Complexity:
126
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:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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