Home Carboxys 1,1-Cyclobutanedicarboxylic acid, 3-(phenylmethoxy)-, 1,1-bis(1-methylethyl) ester

1,1-Cyclobutanedicarboxylic acid, 3-(phenylmethoxy)-, 1,1-bis(1-methylethyl) ester

CAS No.:
869109-30-8
Catalog Number:
AG00IE96
Molecular Formula:
C19H26O5
Molecular Weight:
334.4067
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Product Description
Catalog Number:
AG00IE96
Chemical Name:
1,1-Cyclobutanedicarboxylic acid, 3-(phenylmethoxy)-, 1,1-bis(1-methylethyl) ester
CAS Number:
869109-30-8
Molecular Formula:
C19H26O5
Molecular Weight:
334.4067
MDL Number:
MFCD20922777
IUPAC Name:
dipropan-2-yl 3-phenylmethoxycyclobutane-1,1-dicarboxylate
InChI:
InChI=1S/C19H26O5/c1-13(2)23-17(20)19(18(21)24-14(3)4)10-16(11-19)22-12-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3
InChI Key:
KEJBIVMGKDBTBK-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C1(CC(C1)OCc1ccccc1)C(=O)OC(C)C)C
Properties
Complexity:
407  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.178g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.412g/mol
Monoisotopic Mass:
334.178g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties