AG00CAC4

42580-35-8 | 4-(3-methoxypropoxy)benzaldehyde

AG00CAC4

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CAS Number	42580-35-8
Catalog Number	AG00CAC4(AGN-PC-0WANO5)
Chemical Name	4-(3-methoxypropoxy)benzaldehyde
IUPAC Name	4-(3-methoxypropoxy)benzaldehyde
InChI	InChI=1S/C11H14O3/c1-13-7-2-8-14-11-5-3-10(9-12)4-6-11/h3-6,9H,2,7-8H2,1H3
InChI Key	UAAGRUIKVGFWOZ-UHFFFAOYSA-N
MDL Number	MFCD12798474
Molecular Formula	C11H14O3
Molecular Weight	194.2271
SMILES	COCCCOC1=CC=C(C=O)C=C1
Synonyms	4-(3-methoxypropoxy)benzaldehyde, 42580-35-8, KSC496E1F, SCHEMBL3720061, CTK3J6212, DTXSID30589797, UAAGRUIKVGFWOZ-UHFFFAOYSA-N, ZINC8731417, 5884AB, ANW-65897, AKOS000102234, KS-000010G7, AJ-59134, CJ-13559, RT-002906, A6938, FT-0654472, ST24042897, I01-6289, C11H14O3,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.094g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.23g/mol
Monoisotopic Mass	194.094g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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