1,2-Benzenedicarboxylic acid, butyl 2-methylpropyl ester


Chemical Name: 1,2-Benzenedicarboxylic acid, butyl 2-methylpropyl ester
CAS Number: 17851-53-5
Product Number: AG002657(AGN-PC-0JKKBD)
Synonyms:
MDL No: MFCD11114531
Molecular Formula: C16H22O4
Molecular Weight: 278.3435

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
278.348g/mol
XLogP3:
4.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
9
Exact Mass:
278.152g/mol
Monoisotopic Mass:
278.152g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
312
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3082
Hazard Statements:
H317-H335-H360-H372-H400-H411
Precautionary Statements:
P201-P202-P260-P264-P270-P271-P272-P273-P280-P302+P352+P333+P313+P362+P364-P304+P340+P312-P308+P313-P391-P403+P233-P405-P501
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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