AG00CLA5

40915-37-5 | 3,4-Dihydro-2H-pyran-5-carboxylic acid

AG00CLA5

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CAS Number	40915-37-5
Catalog Number	AG00CLA5(AGN-PC-00NN7G)
Chemical Name	3,4-Dihydro-2H-pyran-5-carboxylic acid
IUPAC Name	3,4-dihydro-2H-pyran-5-carboxylic acid
InChI	InChI=1S/C6H8O3/c7-6(8)5-2-1-3-9-4-5/h4H,1-3H2,(H,7,8)
InChI Key	MIBCYYGVLHFYSD-UHFFFAOYSA-N
MDL Number	MFCD06203171
Molecular Formula	C6H8O3
Molecular Weight	128.1259
SMILES	O=C(C1=COCCC1)O
Synonyms	3,4-dihydro-2H-pyran-5-carboxylic acid, 40915-37-5, SCHEMBL484079, AC1Q741O, RARECHEM AL BE 0334, CTK1D4192, DTXSID60547209, MIBCYYGVLHFYSD-UHFFFAOYSA-N, 2840AE, BBL102939, MFCD06203171, STL556748, ZINC34129548, AKOS006237173, CS-W001843, MCULE-4203786677, NE24877, SS-4630, KS-000005J9, SY027895, 2H-Pyran-5-carboxylic acid,3,4-dihydro-, 5,6--dihydro-4H-pyran-3-carboxylic acid, 2,3-dihydro-(4H)-pyran-5-carboxylic acid, 2H-Pyran-5-carboxylic acid, 3,4-dihydro-, FT-0728397, EN300-65254, MFCD06203171 (95%), Z1259161875, C6H8O3, 2,3-Dihydro-pyran-5-carboxylic acid, 1,5-DIMETHYL-1H-PYRAZOLE-4-BORONIC ACID,PINACOL ESTER,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.047g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	128.127g/mol
Monoisotopic Mass	128.047g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

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