AG00DAV0

544707-13-3 | 4-(4-Hydroxybut-1-yn-1-yl)benzaldehyde

AG00DAV0

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CAS Number	544707-13-3
Catalog Number	AG00DAV0(AGN-PC-05BI5C)
Chemical Name	4-(4-Hydroxybut-1-yn-1-yl)benzaldehyde
IUPAC Name	4-(4-hydroxybut-1-ynyl)benzaldehyde
InChI	InChI=1S/C11H10O2/c12-8-2-1-3-10-4-6-11(9-13)7-5-10/h4-7,9,12H,2,8H2
InChI Key	JNMGWHGSRGUHJY-UHFFFAOYSA-N
MDL Number	MFCD03406287
Molecular Formula	C11H10O2
Molecular Weight	174.1959
SMILES	O=CC1=CC=C(C#CCCO)C=C1
Synonyms	4-(4-Hydroxybut-1-yn-1-yl)benzaldehyde, 544707-13-3, CHEMBRDG-BB 4003414, SCHEMBL2562582, CTK5A1180, DTXSID00650802, JNMGWHGSRGUHJY-UHFFFAOYSA-N, ZX-CM002432, 5455AH, FCH832986, MFCD03406287, ZINC19088330, AKOS006230536, 4-(4-Hydroxy-but-1-ynyl)-benzaldehyde, 4-(4-Hydroxy-1-butyn-1-yl)benzaldehyde, AJ-70957, DA-18498, FT-0742318, Y-0338, 4-(4-Hydroxybut-1-yn-1-yl)benzaldehyde, AldrichCPR, CHEMBRDG-BB4003414, C11H10O2,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.068g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	174.199g/mol
Monoisotopic Mass	174.068g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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