AG00701F

14035-96-2 | Dimethyl 2-propylmalonate

AG00701F

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CAS Number	14035-96-2
Catalog Number	AG00701F(AGN-PC-0JS8LC)
Chemical Name	Dimethyl 2-propylmalonate
EC Number	604-182-8
IUPAC Name	dimethyl 2-propylpropanedioate
InChI	InChI=1S/C8H14O4/c1-4-5-6(7(9)11-2)8(10)12-3/h6H,4-5H2,1-3H3
InChI Key	GQTSAGKZHIWKMR-UHFFFAOYSA-N
MDL Number	MFCD07778475
Molecular Formula	C8H14O4
Molecular Weight	174.1944
SMILES	CCCC(C(=O)OC)C(=O)OC
Synonyms	Dimethyl 2-propylmalonate, 14035-96-2, DIMETHYL PROPYLMALONATE, Propanedioic acid, propyl-, dimethyl ester, 163033-62-3, Malonic acid, propyl-, dimethyl ester, GQTSAGKZHIWKMR-UHFFFAOYSA-N, AK110793, Propanedioic acid, 2-propyl-, 1,3-dimethyl ester, Dimethylpropylmalonate, AC1LARBB, PubChem15928, dimethyl propylpropanedioate, Dimethyl 2-propylmalonate #, dimethyl 2-propylpropanedioate, KSC493A0L, SCHEMBL2946633, CTK3J3005, Propylmalonic acid dimethyl ester, KS-00000G2E, 2-propyl malonic acid dimethyl ester, 6820AA, MFCD07778475, ZINC32149507, 2-propyl-propanedioicaciddimethylester, AKOS006287329, DS-4948, LS40085, RTC-062644, AJ-84774, CJ-17884, SC-19341, AB0054475, AX8125460, TC-062644, A3027, FT-0659236, ST24046608, I14-5992, Dimethyl2-propylmalonate, C8H14O4, CID518868,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.089g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.196g/mol
Monoisotopic Mass	174.089g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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