AG00ILFM

37942-79-3 | Spiro[3.3]heptane-2,6-dicarboxylic acid, dimethyl ester

AG00ILFM

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CAS Number	37942-79-3
Catalog Number	AG00ILFM(AGN-PC-0N1IZP)
Chemical Name	Spiro[3.3]heptane-2,6-dicarboxylic acid, dimethyl ester
IUPAC Name	dimethyl spiro[3.3]heptane-2,6-dicarboxylate
InChI	InChI=1S/C11H16O4/c1-14-9(12)7-3-11(4-7)5-8(6-11)10(13)15-2/h7-8H,3-6H2,1-2H3
InChI Key	WDSRXUBJASECTM-UHFFFAOYSA-N
MDL Number	MFCD11099889
Molecular Formula	C11H16O4
Molecular Weight	212.2423
SMILES	O=C(C1CC2(CC(C(OC)=O)C2)C1)OC
Synonyms	Dimethyl Spiro[3.3]heptane-2,6-dicarboxylate, 27259-79-6, 37942-79-3, EN300-88457, SPIRO[3.3]HEPTANE-2,6-DICARBOXYLIC ACID DIMETHYL ESTER, AC1Q43VO, CTK6I9530, 2,6-DIMETHYL SPIRO[3.3]HEPTANE-2,6-DICARBOXYLATE, Spiro[3.3]heptane-2,6-dicarboxylic acid, 2,6-dimethyl ester, KS-000007XP, MFCD11099889, ZINC32628929, ACM27259796, AK167502, AS-30956, CS-0048693, M112300, Spiro[3.3]?heptane-?2,?6-?dicarboxylic acid, 2,?6-?dimethyl ester, CID10262596,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.105g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.245g/mol
Monoisotopic Mass	212.105g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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