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100747-44-2

100747-44-2 | Propanedioic acid, 2-(2,3-butadien-1-yl)-, 1,3-dimethyl ester

CAS No: 100747-44-2 Catalog No: AG0002RV MDL No:

Product Description

Catalog Number:
AG0002RV
Chemical Name:
Propanedioic acid, 2-(2,3-butadien-1-yl)-, 1,3-dimethyl ester
CAS Number:
100747-44-2
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
IUPAC Name:
dimethyl 2-buta-2,3-dienylpropanedioate
InChI:
InChI=1S/C9H12O4/c1-4-5-6-7(8(10)12-2)9(11)13-3/h5,7H,1,6H2,2-3H3
InChI Key:
IHZSJTUVMXFRPG-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)CC=C=C

Properties

Complexity:
222  
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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