AG00CIUR

41828-13-1 | tetralin-1-carbaldehyde

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CAS Number	41828-13-1
Catalog Number	AG00CIUR(AGN-PC-0WAMUX)
Chemical Name	tetralin-1-carbaldehyde
IUPAC Name	5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
InChI	InChI=1S/C11H12O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h3,5-6,8H,1-2,4,7H2
InChI Key	BQWSBOWPLAWXAO-UHFFFAOYSA-N
MDL Number	MFCD15474839
Molecular Formula	C11H12O
Molecular Weight	160.2124
SMILES	O=CC1=C2CCCCC2=CC=C1
Synonyms	5,6,7,8-tetrahydronaphthalene-1-carbaldehyde, 41828-13-1, AK109635, 1-NAPHTHALENECARBOXALDEHYDE,5,6,7,8-TETRAHYDRO, Tetralin-5-carbaldehyde, AC1L45FB, 1-Naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-, SCHEMBL1044992, KS-00000PUN, BQWSBOWPLAWXAO-UHFFFAOYSA-N, ZINC6093756, MFCD15474839, AKOS016009295, CS-W018374, CT-1069, DS-4383, FCH1180230, MP-1809, AJ-55766, SC-57828, AB0064315, AX8227558, 4CH-011593, ST24023671, Z4734, 5,6,7,8-TETRAHYDRO-NAPHTHALENE-1-CARBALDEHYDE, tetralin-1-carbaldehyde, C11H12O, CID179527,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.089g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.216g/mol
Monoisotopic Mass	160.089g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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