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Butyl 4-Carboxyphenyl Carbonate

Catalog Number
ACM14180122-1
CAS Number
14180-12-2
Product Name
Butyl 4-Carboxyphenyl Carbonate
Structure
Category
Liquid Crystal (LC) Building Blocks
IUPAC Name
4-butoxycarbonyloxybenzoic acid
Molecular Weight
238.24g/mol
Molecular Formula
C12H14O5
Canonical SMILES
CCCCOC(=O)OC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C12H14O5/c1-2-3-8-16-12(15)17-10-6-4-9(5-7-10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)
InChI Key
GNBKEARJFHTJMV-UHFFFAOYSA-N
Complexity
256
Covalently-Bonded Unit Count
1
Exact Mass
238.084124g/mol
Formal Charge
0
Heavy Atom Count
17
Monoisotopic Mass
238.084124g/mol
Rotatable Bond Count
7
XLogP3
2.9
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