AG004SGI

84182-46-7 | 3-(Phenylmethoxy)-1,1-cyclobutanedicarboxylic acid

AG004SGI

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CAS Number	84182-46-7
Catalog Number	AG004SGI(AGN-PC-0JU6I4)
Chemical Name	3-(Phenylmethoxy)-1,1-cyclobutanedicarboxylic acid
IUPAC Name	3-phenylmethoxycyclobutane-1,1-dicarboxylic acid
InChI	InChI=1S/C13H14O5/c14-11(15)13(12(16)17)6-10(7-13)18-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)(H,16,17)
InChI Key	LYRCCQROQBVCRV-UHFFFAOYSA-N
MDL Number	MFCD11559004
Molecular Formula	C13H14O5
Molecular Weight	250.2473
SMILES	O=C(O)C1(C(=O)O)CC(OCc2ccccc2)C1
Synonyms	84182-46-7, 3-(benzyloxy)cyclobutane-1,1-dicarboxylic acid, 3-(Phenylmethoxy)-1,1-cyclobutanedicarboxylic acid, 3-BENZYLOXYCYCLOBUTANE-1,1-DICARBOXYLIC ACID, MFCD11559004, 3-phenylmethoxycyclobutane-1,1-dicarboxylic acid, 1,1-cyclobutanedicarboxylic acid, 3-(phenylmethoxy)-, PubChem18419, AC1LCX1Q, SCHEMBL2640274, CTK3E6320, DTXSID50348601, LYRCCQROQBVCRV-UHFFFAOYSA-N, 2934AC, ANW-69196, BBL101306, STL555102, ZINC32297710, AKOS000282883, CB-2672, RP06113, SB22545, AJ-85183, AX8238362, DB-031922, TR-026061, AM20041232, CS-0054585, FT-0682037, FT-0689593, Y9406, X-4284, A840729, 1,1-Cyclobutanedicarboxylic acid,3-(phenylmethoxy)-, 1,1-Cyclobutanedicarboxylicacid, 3-(phenylmethoxy)-, I14-17109, 3-Benzyloxycyclobutane-1,1-dicarboxylic acid, AldrichCPR, InChI=1/C13H14O5/c14-11(15)13(12(16)17)6-10(7-13)18-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)(H,16,17, C13H14O5, C17H22O5, CID638765, 3-(Phenylmethoxy)-1,1-cyclobutanedicarboxylicacid, 54166-15-3,

Complexity	310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.084g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	250.25g/mol
Monoisotopic Mass	250.084g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	83.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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