AG00AQG2

1829-60-3 | Dimethyl 7-Oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate

AG00AQG2

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CAS Number	1829-60-3
Catalog Number	AG00AQG2(AGN-PC-0QCCKI)
Chemical Name	Dimethyl 7-Oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
IUPAC Name	dimethyl 7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
InChI	InChI=1S/C10H10O5/c1-13-9(11)7-5-3-4-6(15-5)8(7)10(12)14-2/h3-6H,1-2H3
InChI Key	FQVSHUVBNGSEJO-UHFFFAOYSA-N
MDL Number	MFCD03060497
Molecular Formula	C10H10O5
Molecular Weight	210.1834
SMILES	O=C(C1=C(C(OC)=O)C2C=CC1O2)OC
Synonyms	1829-60-3, Dimethyl 7-Oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate, 7-Oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic Acid Dimethyl Ester, SCHEMBL4227961, FQVSHUVBNGSEJO-UHFFFAOYSA-, MFCD03060497, D4414, Dimethyl 3,6-Epoxycyclohexa-1,4-diene-1,2-dicarboxylate, 3,6-Epoxy-1,4-cyclohexadiene-1,2-dicarboxylic acid dimethyl ester, 3,6-Epoxycyclohexa-1,4-diene-1,2-dicarboxylic Acid Dimethyl Ester, dimethyl 7-oxabicyclo[2.2.1]hepta-2(3),5(6)-diene-2,3-dicarboxylate, InChI=1/C10H10O5/c1-13-9(11)7-5-3-4-6(15-5)8(7)10(12)14-2/h3-6H,1-2H3, 6-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE HYDROCHLORIDE,

Complexity	345
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.053g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.185g/mol
Monoisotopic Mass	210.053g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	61.8A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
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