AG00389K

15448-77-8 | Bicyclo[2.2.1]heptane-1,4-dicarboxylic acid, monomethyl ester

AG00389K

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CAS Number	15448-77-8
Catalog Number	AG00389K(AGN-PC-0JD0LR)
Chemical Name	Bicyclo[2.2.1]heptane-1,4-dicarboxylic acid, monomethyl ester
IUPAC Name	4-methoxycarbonylbicyclo[2.2.1]heptane-1-carboxylic acid
InChI	InChI=1S/C10H14O4/c1-14-8(13)10-4-2-9(6-10,3-5-10)7(11)12/h2-6H2,1H3,(H,11,12)
InChI Key	KVIKABYOBCHKNX-UHFFFAOYSA-N
MDL Number	MFCD20638750
Molecular Formula	C10H14O4
Molecular Weight	198.2158
SMILES	O=C(C1(C2)CCC2(C(O)=O)CC1)OC
Synonyms	4-(Methoxycarbonyl)bicyclo[2.2.1]heptane-1-carboxylic acid, 15448-77-8, SCHEMBL1536077, SCHEMBL16875558, KVIKABYOBCHKNX-UHFFFAOYSA-N, MFCD20638750, ZINC34144066, AKOS022645828, NE35262, SB15501, AS-51499, CS-0029892, Z1874937473, 4-methoxycarbonylbicyclo[2.2.1]heptane-1-carboxylic acid, Bicyclo[2.2.1]heptane-1,4-dicarboxylic acid, 1-methyl ester, Bicyclo[2.2.1]heptane-1,4-dicarboxylic acid, monomethyl ester,

Complexity	287
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.089g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	198.218g/mol
Monoisotopic Mass	198.089g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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