AG0009MJ

113771-58-7 | 2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-, methyl ester

AG0009MJ

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CAS Number	113771-58-7
Catalog Number	AG0009MJ(AGN-PC-002QAZ)
Chemical Name	2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-, methyl ester
IUPAC Name	methyl 3,4-dihydro-2H-chromene-2-carboxylate
InChI	InChI=1S/C11H12O3/c1-13-11(12)10-7-6-8-4-2-3-5-9(8)14-10/h2-5,10H,6-7H2,1H3
InChI Key	CLPFQFDVPGZONF-UHFFFAOYSA-N
MDL Number	MFCD20527542
Molecular Formula	C11H12O3
Molecular Weight	192.2112
SMILES	O=C(C1CCC2=C(O1)C=CC=C2)OC
Synonyms	Methyl chroman-2-carboxylate, 113771-58-7, methyl chromane-2-carboxylate, 2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-, methyl ester, (R)-Methyl chroman-2-carboxylate, (S)-Methyl chroman-2-carboxylate, 2-methoxycarbonylchroman, ACMC-20mj03, SCHEMBL4926783, CTK0C8699, DTXSID80564554, CLPFQFDVPGZONF-UHFFFAOYSA-N, 9092AC, MFCD20527542, Chroman-2-carboxylic acid methyl ester, AS-35516, Methyl 3,4-dihydro-2H-1-benzopyran-2-carboxylate, C11H12O3, N/A,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	192.214g/mol
Monoisotopic Mass	192.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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