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14180-12-2 | Benzoic acid, 4-[(butoxycarbonyl)oxy]-
CAS No: 14180-12-2 Catalog No: AG001H7O MDL No:MFCD00060074
Product Description
Catalog Number:
AG001H7O
Chemical Name:
Benzoic acid, 4-[(butoxycarbonyl)oxy]-
CAS Number:
14180-12-2
Molecular Formula:
C12H14O5
Molecular Weight:
238.2366
MDL Number:
MFCD00060074
IUPAC Name:
4-butoxycarbonyloxybenzoic acid
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
SMILES:
CCCCOC(=O)Oc1ccc(cc1)C(=O)O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.239g/mol
Monoisotopic Mass:
238.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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