Name: Name:1,1-Cyclobutanedicarboxylic acid, 3-(phenylmethoxy)-, 1,1-bis(1-methylethyl) ester
Brand: Angene
SKU: AG00IE96
Rating: 90 (10 reviews)

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

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

Complexity:

407

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

334.178g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

334.412g/mol

Monoisotopic Mass:

334.178g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5