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88975-40-0 | Propanedioic acid, (2-chloro-4-hydroxyphenyl)methyl-, diethyl ester
CAS No: 88975-40-0 Catalog No: AG0045AY MDL No:
Product Description
Catalog Number:
AG0045AY
Chemical Name:
Propanedioic acid, (2-chloro-4-hydroxyphenyl)methyl-, diethyl ester
CAS Number:
88975-40-0
Molecular Formula:
C14H17ClO5
Molecular Weight:
300.7348
IUPAC Name:
diethyl 2-[(2-chloro-4-hydroxyphenyl)methyl]propanedioate
InChI:
InChI=1S/C14H17ClO5/c1-3-19-13(17)11(14(18)20-4-2)7-9-5-6-10(16)8-12(9)15/h5-6,8,11,16H,3-4,7H2,1-2H3
InChI Key:
URCKKAOPFDNTJU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)Cc1ccc(cc1Cl)O
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.076g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.735g/mol
Monoisotopic Mass:
300.076g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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